1-methoxy-4-[4-(4-propylcyclohexyl)phenyl]benzene;4-[4-(4-propylcyclohexyl)phenyl]phenol

C43H54O2 — CID 160756551

IUPAC1-methoxy-4-[4-(4-propylcyclohexyl)phenyl]benzene;4-[4-(4-propylcyclohexyl)phenyl]phenol
SMILESCCCC1CCC(c2ccc(-c3ccc(O)cc3)cc2)CC1.CCCC1CCC(c2ccc(-c3ccc(OC)cc3)cc2)CC1
InChIInChI=1S/C22H28O.C21H26O/c1-3-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)21-13-15-22(23-2)16-14-21;1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-14-21(22)15-13-20/h9-18H,3-8H2,1-2H3;8-17,22H,2-7H2,1H3
InChIKeyRXMWDMPTCFGSTL-UHFFFAOYSA-N
MW602.90 g/mol
LogP12.57
Rot. Bonds9

About 1-methoxy-4-[4-(4-propylcyclohexyl)phenyl]benzene;4-[4-(4-propylcyclohexyl)phenyl]phenol

1-methoxy-4-[4-(4-propylcyclohexyl)phenyl]benzene;4-[4-(4-propylcyclohexyl)phenyl]phenol (PubChem CID 160756551) has the molecular formula C43H54O2 and a molecular weight of 602.90 g/mol. Its IUPAC name is 1-methoxy-4-[4-(4-propylcyclohexyl)phenyl]benzene;4-[4-(4-propylcyclohexyl)phenyl]phenol.

Molecular Properties

Compound Name1-methoxy-4-[4-(4-propylcyclohexyl)phenyl]benzene;4-[4-(4-propylcyclohexyl)phenyl]phenol
PubChem CID160756551
Molecular FormulaC43H54O2
Molecular Weight602.90 g/mol
Exact Mass602.41
IUPAC Name1-methoxy-4-[4-(4-propylcyclohexyl)phenyl]benzene;4-[4-(4-propylcyclohexyl)phenyl]phenol
SMILESCCCC1CCC(c2ccc(-c3ccc(O)cc3)cc2)CC1.CCCC1CCC(c2ccc(-c3ccc(OC)cc3)cc2)CC1
InChIInChI=1S/C22H28O.C21H26O/c1-3-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)21-13-15-22(23-2)16-14-21;1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-14-21(22)15-13-20/h9-18H,3-8H2,1-2H3;8-17,22H,2-7H2,1H3
InChIKeyRXMWDMPTCFGSTL-UHFFFAOYSA-N
XLogP12.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.90
LogP ≤ 512.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539339
1-[4-(4-butylcyclohexyl)cyclohexyl]-4-methoxybenzene;1-methoxy-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 144714458
2-[4-(4-methoxyphenyl)cyclohexyl]ethanol
CID 121318753
1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenoxy]benzene
CID 19700194
tris[4-(4-propylcyclohexyl)phenyl] borate
CID 140819845
1-(ethenoxymethoxy)-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethyl]benzene;4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethyl]phenol;vanadium
CID 157087865
1-chloro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 118912523
1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 611152
1-methoxy-4-[4-[(4-pentylcyclohexyl)methyl]cyclohexyl]benzene
CID 139724432
1-ethoxy-4-[4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]phenyl]benzene
CID 67864703
4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]phenol
CID 142281267
1-(2-methoxyethoxy)-4-(4-propylcyclohexyl)benzene
CID 21043309

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[4-(4-propylcyclohexyl)phenyl]benzene;4-[4-(4-propylcyclohexyl)phenyl]phenol?
The IUPAC name of 1-methoxy-4-[4-(4-propylcyclohexyl)phenyl]benzene;4-[4-(4-propylcyclohexyl)phenyl]phenol (CID 160756551) is 1-methoxy-4-[4-(4-propylcyclohexyl)phenyl]benzene;4-[4-(4-propylcyclohexyl)phenyl]phenol.
What is the SMILES notation for 1-methoxy-4-[4-(4-propylcyclohexyl)phenyl]benzene;4-[4-(4-propylcyclohexyl)phenyl]phenol?
The canonical SMILES for 1-methoxy-4-[4-(4-propylcyclohexyl)phenyl]benzene;4-[4-(4-propylcyclohexyl)phenyl]phenol is CCCC1CCC(c2ccc(-c3ccc(O)cc3)cc2)CC1.CCCC1CCC(c2ccc(-c3ccc(OC)cc3)cc2)CC1.
What is the InChIKey of 1-methoxy-4-[4-(4-propylcyclohexyl)phenyl]benzene;4-[4-(4-propylcyclohexyl)phenyl]phenol?
The InChIKey is RXMWDMPTCFGSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O.C21H26O/c1-3-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)21-13-15-22(23-2)16-14-21;1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-14-21(22)15-13-20/h9-18H,3-8H2,1-2H3;8-17,22H,2-7H2,1H3.
What are the key properties of 1-methoxy-4-[4-(4-propylcyclohexyl)phenyl]benzene;4-[4-(4-propylcyclohexyl)phenyl]phenol?
1-methoxy-4-[4-(4-propylcyclohexyl)phenyl]benzene;4-[4-(4-propylcyclohexyl)phenyl]phenol has a molecular weight of 602.90 g/mol, XLogP of 12.57, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[4-(4-propylcyclohexyl)phenyl]benzene;4-[4-(4-propylcyclohexyl)phenyl]phenol is sourced from PubChem (CID 160756551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).