1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene;1-butoxy-4-[2-(4-methylcyclohexyl)ethyl]benzene;2-butoxy-5-[2-(4-methylcyclohexyl)ethyl]phenol;5-butoxy-2-[2-(4-methylcyclohexyl)ethyl]phenol;2-butoxy-5-[2-(4-methylcyclohexyl)ethyl]pyridine;1-(methoxymethoxy)-3-[2-(4-methylcyclohexyl)ethyl]benzene;3-[2-(4-methylcyclohexyl)ethyl]phenol;heptakis(propane-2-thiol);tetradecahydrate

C147H281NO24S7 — CID 159126488

IUPAC1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene;1-butoxy-4-[2-(4-methylcyclohexyl)ethyl]benzene;2-butoxy-5-[2-(4-methylcyclohexyl)ethyl]phenol;5-butoxy-2-[2-(4-methylcyclohexyl)ethyl]phenol;2-butoxy-5-[2-(4-methylcyclohexyl)ethyl]pyridine;1-(methoxymethoxy)-3-[2-(4-methylcyclohexyl)ethyl]benzene;3-[2-(4-methylcyclohexyl)ethyl]phenol;heptakis(propane-2-thiol);tetradecahydrate
SMILESCC(C)S.CC(C)S.CC(C)S.CC(C)S.CC(C)S.CC(C)S.CC(C)S.CC1CCC(CCc2cccc(O)c2)CC1.CCCCOc1ccc(CCC2CCC(C)CC2)c(O)c1.CCCCOc1ccc(CCC2CCC(C)CC2)cc1.CCCCOc1ccc(CCC2CCC(C)CC2)cc1O.CCCCOc1ccc(CCC2CCC(C)CC2)cn1.CCCCOc1cccc(CCC2CCC(C)CC2)c1.COCOc1cccc(CCC2CCC(C)CC2)c1.O.O.O.O.O.O.O.O.O.O.O.O.O.O
InChIInChI=1S/2C19H30O2.2C19H30O.C18H29NO.C17H26O2.C15H22O.7C3H8S.14H2O/c1-3-4-13-21-18-12-11-17(19(20)14-18)10-9-16-7-5-15(2)6-8-16;1-3-4-13-21-19-12-11-17(14-18(19)20)10-9-16-7-5-15(2)6-8-16;1-3-4-15-20-19-13-11-18(12-14-19)10-9-17-7-5-16(2)6-8-17;1-3-4-14-20-19-7-5-6-18(15-19)13-12-17-10-8-16(2)9-11-17;1-3-4-13-20-18-12-11-17(14-19-18)10-9-16-7-5-15(2)6-8-16;1-14-6-8-15(9-7-14)10-11-16-4-3-5-17(12-16)19-13-18-2;1-12-5-7-13(8-6-12)9-10-14-3-2-4-15(16)11-14;7*1-3(2)4;;;;;;;;;;;;;;/h2*11-12,14-16,20H,3-10,13H2,1-2H3;11-14,16-17H,3-10,15H2,1-2H3;5-7,15-17H,3-4,8-14H2,1-2H3;11-12,14-16H,3-10,13H2,1-2H3;3-5,12,14-15H,6-11,13H2,1-2H3;2-4,11-13,16H,5-10H2,1H3;7*3-4H,1-2H3;14*1H2
InChIKeyCFJNSBAQNBESFT-UHFFFAOYSA-N
MW2671.32 g/mol
LogP33.23
Rot. Bonds44

About 1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene;1-butoxy-4-[2-(4-methylcyclohexyl)ethyl]benzene;2-butoxy-5-[2-(4-methylcyclohexyl)ethyl]phenol;5-butoxy-2-[2-(4-methylcyclohexyl)ethyl]phenol;2-butoxy-5-[2-(4-methylcyclohexyl)ethyl]pyridine;1-(methoxymethoxy)-3-[2-(4-methylcyclohexyl)ethyl]benzene;3-[2-(4-methylcyclohexyl)ethyl]phenol;heptakis(propane-2-thiol);tetradecahydrate

1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene;1-butoxy-4-[2-(4-methylcyclohexyl)ethyl]benzene;2-butoxy-5-[2-(4-methylcyclohexyl)ethyl]phenol;5-butoxy-2-[2-(4-methylcyclohexyl)ethyl]phenol;2-butoxy-5-[2-(4-methylcyclohexyl)ethyl]pyridine;1-(methoxymethoxy)-3-[2-(4-methylcyclohexyl)ethyl]benzene;3-[2-(4-methylcyclohexyl)ethyl]phenol;heptakis(propane-2-thiol);tetradecahydrate (PubChem CID 159126488) has the molecular formula C147H281NO24S7 and a molecular weight of 2671.32 g/mol. Its IUPAC name is 1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene;1-butoxy-4-[2-(4-methylcyclohexyl)ethyl]benzene;2-butoxy-5-[2-(4-methylcyclohexyl)ethyl]phenol;5-butoxy-2-[2-(4-methylcyclohexyl)ethyl]phenol;2-butoxy-5-[2-(4-methylcyclohexyl)ethyl]pyridine;1-(methoxymethoxy)-3-[2-(4-methylcyclohexyl)ethyl]benzene;3-[2-(4-methylcyclohexyl)ethyl]phenol;heptakis(propane-2-thiol);tetradecahydrate.

Molecular Properties

Compound Name1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene;1-butoxy-4-[2-(4-methylcyclohexyl)ethyl]benzene;2-butoxy-5-[2-(4-methylcyclohexyl)ethyl]phenol;5-butoxy-2-[2-(4-methylcyclohexyl)ethyl]phenol;2-butoxy-5-[2-(4-methylcyclohexyl)ethyl]pyridine;1-(methoxymethoxy)-3-[2-(4-methylcyclohexyl)ethyl]benzene;3-[2-(4-methylcyclohexyl)ethyl]phenol;heptakis(propane-2-thiol);tetradecahydrate
PubChem CID159126488
Molecular FormulaC147H281NO24S7
Molecular Weight2671.32 g/mol
Exact Mass2668.88
IUPAC Name1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene;1-butoxy-4-[2-(4-methylcyclohexyl)ethyl]benzene;2-butoxy-5-[2-(4-methylcyclohexyl)ethyl]phenol;5-butoxy-2-[2-(4-methylcyclohexyl)ethyl]phenol;2-butoxy-5-[2-(4-methylcyclohexyl)ethyl]pyridine;1-(methoxymethoxy)-3-[2-(4-methylcyclohexyl)ethyl]benzene;3-[2-(4-methylcyclohexyl)ethyl]phenol;heptakis(propane-2-thiol);tetradecahydrate
SMILESCC(C)S.CC(C)S.CC(C)S.CC(C)S.CC(C)S.CC(C)S.CC(C)S.CC1CCC(CCc2cccc(O)c2)CC1.CCCCOc1ccc(CCC2CCC(C)CC2)c(O)c1.CCCCOc1ccc(CCC2CCC(C)CC2)cc1.CCCCOc1ccc(CCC2CCC(C)CC2)cc1O.CCCCOc1ccc(CCC2CCC(C)CC2)cn1.CCCCOc1cccc(CCC2CCC(C)CC2)c1.COCOc1cccc(CCC2CCC(C)CC2)c1.O.O.O.O.O.O.O.O.O.O.O.O.O.O
InChIInChI=1S/2C19H30O2.2C19H30O.C18H29NO.C17H26O2.C15H22O.7C3H8S.14H2O/c1-3-4-13-21-18-12-11-17(19(20)14-18)10-9-16-7-5-15(2)6-8-16;1-3-4-13-21-19-12-11-17(14-18(19)20)10-9-16-7-5-15(2)6-8-16;1-3-4-15-20-19-13-11-18(12-14-19)10-9-17-7-5-16(2)6-8-17;1-3-4-14-20-19-7-5-6-18(15-19)13-12-17-10-8-16(2)9-11-17;1-3-4-13-20-18-12-11-17(14-19-18)10-9-16-7-5-15(2)6-8-16;1-14-6-8-15(9-7-14)10-11-16-4-3-5-17(12-16)19-13-18-2;1-12-5-7-13(8-6-12)9-10-14-3-2-4-15(16)11-14;7*1-3(2)4;;;;;;;;;;;;;;/h2*11-12,14-16,20H,3-10,13H2,1-2H3;11-14,16-17H,3-10,15H2,1-2H3;5-7,15-17H,3-4,8-14H2,1-2H3;11-12,14-16H,3-10,13H2,1-2H3;3-5,12,14-15H,6-11,13H2,1-2H3;2-4,11-13,16H,5-10H2,1H3;7*3-4H,1-2H3;14*1H2
InChIKeyCFJNSBAQNBESFT-UHFFFAOYSA-N
XLogP33.23
TPSA579.19 Ų
H-Bond Donors10
H-Bond Acceptors18
Rotatable Bonds44
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002671.32
LogP ≤ 533.23
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

5-(4-Hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-3-ylmethoxy)phenyl]-3,6-dimethoxyphenol
CID 23539237
5-(4-Hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-4-ylmethoxy)phenyl]-3,6-dimethoxyphenol
CID 23539239
2-[(2-Phenoxyphenyl)methoxy]-5-(3,4,5-trimethoxyphenyl)pyridine
CID 46209327
2,3-Dimethoxy-5-phenylbenzene-1,4-diol;3-[3-(2,5-dimethoxyphenyl)phenyl]-2-methoxypyridine
CID 88453724
[4-[4-[4-[(Z)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[4-[4-[(E)-3-chlorobut-2-enoxy]-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;5-[3,6-dimethoxy-2-(methoxymethoxy)-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol;[4-[2,5-dimethoxy-4-[4-[(4-methoxyphenyl)methoxy]-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-2-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-3-methylsulfonyloxy-4-[3-methylsulfonyloxy-4-(pyridin-4-ylmethoxy)phenyl]phenyl]phenyl] methanesulfonate
CID 158065377
2-(4-Butoxy-2-hydroxyphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-butoxy-3-hydroxyphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-butoxyphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(6-butoxy-3-pyridinyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(3-hydroxyphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[3-(methoxymethoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(6-phenoxy-3-pyridinyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone
CID 160656022
1-Butoxy-4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]benzene;2-butoxy-5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenol;5-butoxy-2-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenol;2-butoxy-5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]pyridine;3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenol;5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2-phenoxypyridine
CID 161751072
2-[[18-(Carboxymethoxy)-25,29,33,37-tetraheptyl-12,39-dipyridin-4-yl-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,28.07,26.011,32.013,30.017,36.019,34]tetraconta-1(38),5(28),6,11(32),12,17,19(34),23(39),24(40),26,30,35-dodecaen-6-yl]oxy]acetic acid
CID 101443837
4-[5-(3,4,5-Tridodecoxyphenyl)-3-pyridinyl]benzene-1,2-diol
CID 101506975
4-[2-[(3,4,5-Tridodecoxyphenyl)methoxy]-3-pyridinyl]benzene-1,2-diol
CID 102404375
4,5-Bis[2-[(3,4,5-tridodecoxyphenyl)methoxy]-3-pyridinyl]benzene-1,2-diol
CID 102404376
(Z)-1-[5-methoxy-2-(methoxymethoxy)-4-phenylmethoxyphenyl]-2-(7-methoxy-6-phenylmethoxyisoquinolin-1-yl)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenol
CID 135504789

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene;1-butoxy-4-[2-(4-methylcyclohexyl)ethyl]benzene;2-butoxy-5-[2-(4-methylcyclohexyl)ethyl]phenol;5-butoxy-2-[2-(4-methylcyclohexyl)ethyl]phenol;2-butoxy-5-[2-(4-methylcyclohexyl)ethyl]pyridine;1-(methoxymethoxy)-3-[2-(4-methylcyclohexyl)ethyl]benzene;3-[2-(4-methylcyclohexyl)ethyl]phenol;heptakis(propane-2-thiol);tetradecahydrate?
The IUPAC name of 1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene;1-butoxy-4-[2-(4-methylcyclohexyl)ethyl]benzene;2-butoxy-5-[2-(4-methylcyclohexyl)ethyl]phenol;5-butoxy-2-[2-(4-methylcyclohexyl)ethyl]phenol;2-butoxy-5-[2-(4-methylcyclohexyl)ethyl]pyridine;1-(methoxymethoxy)-3-[2-(4-methylcyclohexyl)ethyl]benzene;3-[2-(4-methylcyclohexyl)ethyl]phenol;heptakis(propane-2-thiol);tetradecahydrate (CID 159126488) is 1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene;1-butoxy-4-[2-(4-methylcyclohexyl)ethyl]benzene;2-butoxy-5-[2-(4-methylcyclohexyl)ethyl]phenol;5-butoxy-2-[2-(4-methylcyclohexyl)ethyl]phenol;2-butoxy-5-[2-(4-methylcyclohexyl)ethyl]pyridine;1-(methoxymethoxy)-3-[2-(4-methylcyclohexyl)ethyl]benzene;3-[2-(4-methylcyclohexyl)ethyl]phenol;heptakis(propane-2-thiol);tetradecahydrate.
What is the SMILES notation for 1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene;1-butoxy-4-[2-(4-methylcyclohexyl)ethyl]benzene;2-butoxy-5-[2-(4-methylcyclohexyl)ethyl]phenol;5-butoxy-2-[2-(4-methylcyclohexyl)ethyl]phenol;2-butoxy-5-[2-(4-methylcyclohexyl)ethyl]pyridine;1-(methoxymethoxy)-3-[2-(4-methylcyclohexyl)ethyl]benzene;3-[2-(4-methylcyclohexyl)ethyl]phenol;heptakis(propane-2-thiol);tetradecahydrate?
The canonical SMILES for 1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene;1-butoxy-4-[2-(4-methylcyclohexyl)ethyl]benzene;2-butoxy-5-[2-(4-methylcyclohexyl)ethyl]phenol;5-butoxy-2-[2-(4-methylcyclohexyl)ethyl]phenol;2-butoxy-5-[2-(4-methylcyclohexyl)ethyl]pyridine;1-(methoxymethoxy)-3-[2-(4-methylcyclohexyl)ethyl]benzene;3-[2-(4-methylcyclohexyl)ethyl]phenol;heptakis(propane-2-thiol);tetradecahydrate is CC(C)S.CC(C)S.CC(C)S.CC(C)S.CC(C)S.CC(C)S.CC(C)S.CC1CCC(CCc2cccc(O)c2)CC1.CCCCOc1ccc(CCC2CCC(C)CC2)c(O)c1.CCCCOc1ccc(CCC2CCC(C)CC2)cc1.CCCCOc1ccc(CCC2CCC(C)CC2)cc1O.CCCCOc1ccc(CCC2CCC(C)CC2)cn1.CCCCOc1cccc(CCC2CCC(C)CC2)c1.COCOc1cccc(CCC2CCC(C)CC2)c1.O.O.O.O.O.O.O.O.O.O.O.O.O.O.
What is the InChIKey of 1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene;1-butoxy-4-[2-(4-methylcyclohexyl)ethyl]benzene;2-butoxy-5-[2-(4-methylcyclohexyl)ethyl]phenol;5-butoxy-2-[2-(4-methylcyclohexyl)ethyl]phenol;2-butoxy-5-[2-(4-methylcyclohexyl)ethyl]pyridine;1-(methoxymethoxy)-3-[2-(4-methylcyclohexyl)ethyl]benzene;3-[2-(4-methylcyclohexyl)ethyl]phenol;heptakis(propane-2-thiol);tetradecahydrate?
The InChIKey is CFJNSBAQNBESFT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H30O2.2C19H30O.C18H29NO.C17H26O2.C15H22O.7C3H8S.14H2O/c1-3-4-13-21-18-12-11-17(19(20)14-18)10-9-16-7-5-15(2)6-8-16;1-3-4-13-21-19-12-11-17(14-18(19)20)10-9-16-7-5-15(2)6-8-16;1-3-4-15-20-19-13-11-18(12-14-19)10-9-17-7-5-16(2)6-8-17;1-3-4-14-20-19-7-5-6-18(15-19)13-12-17-10-8-16(2)9-11-17;1-3-4-13-20-18-12-11-17(14-19-18)10-9-16-7-5-15(2)6-8-16;1-14-6-8-15(9-7-14)10-11-16-4-3-5-17(12-16)19-13-18-2;1-12-5-7-13(8-6-12)9-10-14-3-2-4-15(16)11-14;7*1-3(2)4;;;;;;;;;;;;;;/h2*11-12,14-16,20H,3-10,13H2,1-2H3;11-14,16-17H,3-10,15H2,1-2H3;5-7,15-17H,3-4,8-14H2,1-2H3;11-12,14-16H,3-10,13H2,1-2H3;3-5,12,14-15H,6-11,13H2,1-2H3;2-4,11-13,16H,5-10H2,1H3;7*3-4H,1-2H3;14*1H2.
What are the key properties of 1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene;1-butoxy-4-[2-(4-methylcyclohexyl)ethyl]benzene;2-butoxy-5-[2-(4-methylcyclohexyl)ethyl]phenol;5-butoxy-2-[2-(4-methylcyclohexyl)ethyl]phenol;2-butoxy-5-[2-(4-methylcyclohexyl)ethyl]pyridine;1-(methoxymethoxy)-3-[2-(4-methylcyclohexyl)ethyl]benzene;3-[2-(4-methylcyclohexyl)ethyl]phenol;heptakis(propane-2-thiol);tetradecahydrate?
1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene;1-butoxy-4-[2-(4-methylcyclohexyl)ethyl]benzene;2-butoxy-5-[2-(4-methylcyclohexyl)ethyl]phenol;5-butoxy-2-[2-(4-methylcyclohexyl)ethyl]phenol;2-butoxy-5-[2-(4-methylcyclohexyl)ethyl]pyridine;1-(methoxymethoxy)-3-[2-(4-methylcyclohexyl)ethyl]benzene;3-[2-(4-methylcyclohexyl)ethyl]phenol;heptakis(propane-2-thiol);tetradecahydrate has a molecular weight of 2671.32 g/mol, XLogP of 33.23, 44 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene;1-butoxy-4-[2-(4-methylcyclohexyl)ethyl]benzene;2-butoxy-5-[2-(4-methylcyclohexyl)ethyl]phenol;5-butoxy-2-[2-(4-methylcyclohexyl)ethyl]phenol;2-butoxy-5-[2-(4-methylcyclohexyl)ethyl]pyridine;1-(methoxymethoxy)-3-[2-(4-methylcyclohexyl)ethyl]benzene;3-[2-(4-methylcyclohexyl)ethyl]phenol;heptakis(propane-2-thiol);tetradecahydrate is sourced from PubChem (CID 159126488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).