1-[(2R)-butan-2-yl]oxy-3-(cyclohexylmethoxy)benzene;1-[(2S)-butan-2-yl]oxy-3-(cyclohexylmethoxy)benzene;1-[(2R)-butan-2-yl]oxy-3-(cyclopentylmethoxy)benzene;1-[(2S)-butan-2-yl]oxy-3-(cyclopentylmethoxy)benzene;1-(cyclobutylmethoxy)-3-propoxybenzene;1-(cyclopentylmethoxy)-3-propoxybenzene;1-(cyclopropylmethoxy)-3-propoxybenzene;1-[(3-propoxyphenoxy)methyl]cycloheptan-1-ol;1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol;(3-propoxyphenoxy)methylcyclooctane;2-[(3-propoxyphenoxy)methyl]oxane

C174H260O25 — CID 162046468

IUPAC1-[(2R)-butan-2-yl]oxy-3-(cyclohexylmethoxy)benzene;1-[(2S)-butan-2-yl]oxy-3-(cyclohexylmethoxy)benzene;1-[(2R)-butan-2-yl]oxy-3-(cyclopentylmethoxy)benzene;1-[(2S)-butan-2-yl]oxy-3-(cyclopentylmethoxy)benzene;1-(cyclobutylmethoxy)-3-propoxybenzene;1-(cyclopentylmethoxy)-3-propoxybenzene;1-(cyclopropylmethoxy)-3-propoxybenzene;1-[(3-propoxyphenoxy)methyl]cycloheptan-1-ol;1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol;(3-propoxyphenoxy)methylcyclooctane;2-[(3-propoxyphenoxy)methyl]oxane
SMILESCCCOc1cccc(OCC2(O)CCCCC2)c1.CCCOc1cccc(OCC2(O)CCCCCC2)c1.CCCOc1cccc(OCC2CC2)c1.CCCOc1cccc(OCC2CCC2)c1.CCCOc1cccc(OCC2CCCC2)c1.CCCOc1cccc(OCC2CCCCCCC2)c1.CCCOc1cccc(OCC2CCCCO2)c1.CC[C@@H](C)Oc1cccc(OCC2CCCC2)c1.CC[C@@H](C)Oc1cccc(OCC2CCCCC2)c1.CC[C@H](C)Oc1cccc(OCC2CCCC2)c1.CC[C@H](C)Oc1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C18H28O2.C17H26O3.2C17H26O2.C16H24O3.2C16H24O2.C15H22O3.C15H22O2.C14H20O2.C13H18O2/c1-2-13-19-17-11-8-12-18(14-17)20-15-16-9-6-4-3-5-7-10-16;1-2-12-19-15-8-7-9-16(13-15)20-14-17(18)10-5-3-4-6-11-17;2*1-3-14(2)19-17-11-7-10-16(12-17)18-13-15-8-5-4-6-9-15;1-2-11-18-14-7-6-8-15(12-14)19-13-16(17)9-4-3-5-10-16;2*1-3-13(2)18-16-10-6-9-15(11-16)17-12-14-7-4-5-8-14;1-2-9-16-13-7-5-8-14(11-13)18-12-15-6-3-4-10-17-15;1-2-10-16-14-8-5-9-15(11-14)17-12-13-6-3-4-7-13;1-2-9-15-13-7-4-8-14(10-13)16-11-12-5-3-6-12;1-2-8-14-12-4-3-5-13(9-12)15-10-11-6-7-11/h8,11-12,14,16H,2-7,9-10,13,15H2,1H3;7-9,13,18H,2-6,10-12,14H2,1H3;2*7,10-12,14-15H,3-6,8-9,13H2,1-2H3;6-8,12,17H,2-5,9-11,13H2,1H3;2*6,9-11,13-14H,3-5,7-8,12H2,1-2H3;5,7-8,11,15H,2-4,6,9-10,12H2,1H3;5,8-9,11,13H,2-4,6-7,10,12H2,1H3;4,7-8,10,12H,2-3,5-6,9,11H2,1H3;3-5,9,11H,2,6-8,10H2,1H3/t;;2*14-;;2*13-;;;;/m..10.10..../s1
InChIKeyYXYKRVGMSQHXLK-OUUSJSAOSA-N
MW2751.97 g/mol
LogP45.60
Rot. Bonds66

About 1-[(2R)-butan-2-yl]oxy-3-(cyclohexylmethoxy)benzene;1-[(2S)-butan-2-yl]oxy-3-(cyclohexylmethoxy)benzene;1-[(2R)-butan-2-yl]oxy-3-(cyclopentylmethoxy)benzene;1-[(2S)-butan-2-yl]oxy-3-(cyclopentylmethoxy)benzene;1-(cyclobutylmethoxy)-3-propoxybenzene;1-(cyclopentylmethoxy)-3-propoxybenzene;1-(cyclopropylmethoxy)-3-propoxybenzene;1-[(3-propoxyphenoxy)methyl]cycloheptan-1-ol;1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol;(3-propoxyphenoxy)methylcyclooctane;2-[(3-propoxyphenoxy)methyl]oxane

1-[(2R)-butan-2-yl]oxy-3-(cyclohexylmethoxy)benzene;1-[(2S)-butan-2-yl]oxy-3-(cyclohexylmethoxy)benzene;1-[(2R)-butan-2-yl]oxy-3-(cyclopentylmethoxy)benzene;1-[(2S)-butan-2-yl]oxy-3-(cyclopentylmethoxy)benzene;1-(cyclobutylmethoxy)-3-propoxybenzene;1-(cyclopentylmethoxy)-3-propoxybenzene;1-(cyclopropylmethoxy)-3-propoxybenzene;1-[(3-propoxyphenoxy)methyl]cycloheptan-1-ol;1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol;(3-propoxyphenoxy)methylcyclooctane;2-[(3-propoxyphenoxy)methyl]oxane (PubChem CID 162046468) has the molecular formula C174H260O25 and a molecular weight of 2751.97 g/mol. Its IUPAC name is 1-[(2R)-butan-2-yl]oxy-3-(cyclohexylmethoxy)benzene;1-[(2S)-butan-2-yl]oxy-3-(cyclohexylmethoxy)benzene;1-[(2R)-butan-2-yl]oxy-3-(cyclopentylmethoxy)benzene;1-[(2S)-butan-2-yl]oxy-3-(cyclopentylmethoxy)benzene;1-(cyclobutylmethoxy)-3-propoxybenzene;1-(cyclopentylmethoxy)-3-propoxybenzene;1-(cyclopropylmethoxy)-3-propoxybenzene;1-[(3-propoxyphenoxy)methyl]cycloheptan-1-ol;1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol;(3-propoxyphenoxy)methylcyclooctane;2-[(3-propoxyphenoxy)methyl]oxane.

Molecular Properties

Compound Name1-[(2R)-butan-2-yl]oxy-3-(cyclohexylmethoxy)benzene;1-[(2S)-butan-2-yl]oxy-3-(cyclohexylmethoxy)benzene;1-[(2R)-butan-2-yl]oxy-3-(cyclopentylmethoxy)benzene;1-[(2S)-butan-2-yl]oxy-3-(cyclopentylmethoxy)benzene;1-(cyclobutylmethoxy)-3-propoxybenzene;1-(cyclopentylmethoxy)-3-propoxybenzene;1-(cyclopropylmethoxy)-3-propoxybenzene;1-[(3-propoxyphenoxy)methyl]cycloheptan-1-ol;1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol;(3-propoxyphenoxy)methylcyclooctane;2-[(3-propoxyphenoxy)methyl]oxane
PubChem CID162046468
Molecular FormulaC174H260O25
Molecular Weight2751.97 g/mol
Exact Mass2749.91
IUPAC Name1-[(2R)-butan-2-yl]oxy-3-(cyclohexylmethoxy)benzene;1-[(2S)-butan-2-yl]oxy-3-(cyclohexylmethoxy)benzene;1-[(2R)-butan-2-yl]oxy-3-(cyclopentylmethoxy)benzene;1-[(2S)-butan-2-yl]oxy-3-(cyclopentylmethoxy)benzene;1-(cyclobutylmethoxy)-3-propoxybenzene;1-(cyclopentylmethoxy)-3-propoxybenzene;1-(cyclopropylmethoxy)-3-propoxybenzene;1-[(3-propoxyphenoxy)methyl]cycloheptan-1-ol;1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol;(3-propoxyphenoxy)methylcyclooctane;2-[(3-propoxyphenoxy)methyl]oxane
SMILESCCCOc1cccc(OCC2(O)CCCCC2)c1.CCCOc1cccc(OCC2(O)CCCCCC2)c1.CCCOc1cccc(OCC2CC2)c1.CCCOc1cccc(OCC2CCC2)c1.CCCOc1cccc(OCC2CCCC2)c1.CCCOc1cccc(OCC2CCCCCCC2)c1.CCCOc1cccc(OCC2CCCCO2)c1.CC[C@@H](C)Oc1cccc(OCC2CCCC2)c1.CC[C@@H](C)Oc1cccc(OCC2CCCCC2)c1.CC[C@H](C)Oc1cccc(OCC2CCCC2)c1.CC[C@H](C)Oc1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C18H28O2.C17H26O3.2C17H26O2.C16H24O3.2C16H24O2.C15H22O3.C15H22O2.C14H20O2.C13H18O2/c1-2-13-19-17-11-8-12-18(14-17)20-15-16-9-6-4-3-5-7-10-16;1-2-12-19-15-8-7-9-16(13-15)20-14-17(18)10-5-3-4-6-11-17;2*1-3-14(2)19-17-11-7-10-16(12-17)18-13-15-8-5-4-6-9-15;1-2-11-18-14-7-6-8-15(12-14)19-13-16(17)9-4-3-5-10-16;2*1-3-13(2)18-16-10-6-9-15(11-16)17-12-14-7-4-5-8-14;1-2-9-16-13-7-5-8-14(11-13)18-12-15-6-3-4-10-17-15;1-2-10-16-14-8-5-9-15(11-14)17-12-13-6-3-4-7-13;1-2-9-15-13-7-4-8-14(10-13)16-11-12-5-3-6-12;1-2-8-14-12-4-3-5-13(9-12)15-10-11-6-7-11/h8,11-12,14,16H,2-7,9-10,13,15H2,1H3;7-9,13,18H,2-6,10-12,14H2,1H3;2*7,10-12,14-15H,3-6,8-9,13H2,1-2H3;6-8,12,17H,2-5,9-11,13H2,1H3;2*6,9-11,13-14H,3-5,7-8,12H2,1-2H3;5,7-8,11,15H,2-4,6,9-10,12H2,1H3;5,8-9,11,13H,2-4,6-7,10,12H2,1H3;4,7-8,10,12H,2-3,5-6,9,11H2,1H3;3-5,9,11H,2,6-8,10H2,1H3/t;;2*14-;;2*13-;;;;/m..10.10..../s1
InChIKeyYXYKRVGMSQHXLK-OUUSJSAOSA-N
XLogP45.60
TPSA252.75 Ų
H-Bond Donors2
H-Bond Acceptors25
Rotatable Bonds66
Heavy Atoms199
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002751.97
LogP ≤ 545.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1025

Analyze 1-[(2R)-butan-2-yl]oxy-3-(cyclohexylmethoxy)benzene;1-[(2S)-butan-2-yl]oxy-3-(cyclohexylmethoxy)benzene;1-[(2R)-butan-2-yl]oxy-3-(cyclopentylmethoxy)benzene;1-[(2S)-butan-2-yl]oxy-3-(cyclopentylmethoxy)benzene;1-(cyclobutylmethoxy)-3-propoxybenzene;1-(cyclopentylmethoxy)-3-propoxybenzene;1-(cyclopropylmethoxy)-3-propoxybenzene;1-[(3-propoxyphenoxy)methyl]cycloheptan-1-ol;1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol;(3-propoxyphenoxy)methylcyclooctane;2-[(3-propoxyphenoxy)methyl]oxane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-butan-2-yl]oxy-3-(cyclohexylmethoxy)benzene;1-[(2S)-butan-2-yl]oxy-3-(cyclohexylmethoxy)benzene;1-[(2R)-butan-2-yl]oxy-3-(cyclopentylmethoxy)benzene;1-[(2S)-butan-2-yl]oxy-3-(cyclopentylmethoxy)benzene;1-(cyclobutylmethoxy)-3-propoxybenzene;1-(cyclopentylmethoxy)-3-propoxybenzene;1-(cyclopropylmethoxy)-3-propoxybenzene;1-[(3-propoxyphenoxy)methyl]cycloheptan-1-ol;1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol;(3-propoxyphenoxy)methylcyclooctane;2-[(3-propoxyphenoxy)methyl]oxane?
The IUPAC name of 1-[(2R)-butan-2-yl]oxy-3-(cyclohexylmethoxy)benzene;1-[(2S)-butan-2-yl]oxy-3-(cyclohexylmethoxy)benzene;1-[(2R)-butan-2-yl]oxy-3-(cyclopentylmethoxy)benzene;1-[(2S)-butan-2-yl]oxy-3-(cyclopentylmethoxy)benzene;1-(cyclobutylmethoxy)-3-propoxybenzene;1-(cyclopentylmethoxy)-3-propoxybenzene;1-(cyclopropylmethoxy)-3-propoxybenzene;1-[(3-propoxyphenoxy)methyl]cycloheptan-1-ol;1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol;(3-propoxyphenoxy)methylcyclooctane;2-[(3-propoxyphenoxy)methyl]oxane (CID 162046468) is 1-[(2R)-butan-2-yl]oxy-3-(cyclohexylmethoxy)benzene;1-[(2S)-butan-2-yl]oxy-3-(cyclohexylmethoxy)benzene;1-[(2R)-butan-2-yl]oxy-3-(cyclopentylmethoxy)benzene;1-[(2S)-butan-2-yl]oxy-3-(cyclopentylmethoxy)benzene;1-(cyclobutylmethoxy)-3-propoxybenzene;1-(cyclopentylmethoxy)-3-propoxybenzene;1-(cyclopropylmethoxy)-3-propoxybenzene;1-[(3-propoxyphenoxy)methyl]cycloheptan-1-ol;1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol;(3-propoxyphenoxy)methylcyclooctane;2-[(3-propoxyphenoxy)methyl]oxane.
What is the SMILES notation for 1-[(2R)-butan-2-yl]oxy-3-(cyclohexylmethoxy)benzene;1-[(2S)-butan-2-yl]oxy-3-(cyclohexylmethoxy)benzene;1-[(2R)-butan-2-yl]oxy-3-(cyclopentylmethoxy)benzene;1-[(2S)-butan-2-yl]oxy-3-(cyclopentylmethoxy)benzene;1-(cyclobutylmethoxy)-3-propoxybenzene;1-(cyclopentylmethoxy)-3-propoxybenzene;1-(cyclopropylmethoxy)-3-propoxybenzene;1-[(3-propoxyphenoxy)methyl]cycloheptan-1-ol;1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol;(3-propoxyphenoxy)methylcyclooctane;2-[(3-propoxyphenoxy)methyl]oxane?
The canonical SMILES for 1-[(2R)-butan-2-yl]oxy-3-(cyclohexylmethoxy)benzene;1-[(2S)-butan-2-yl]oxy-3-(cyclohexylmethoxy)benzene;1-[(2R)-butan-2-yl]oxy-3-(cyclopentylmethoxy)benzene;1-[(2S)-butan-2-yl]oxy-3-(cyclopentylmethoxy)benzene;1-(cyclobutylmethoxy)-3-propoxybenzene;1-(cyclopentylmethoxy)-3-propoxybenzene;1-(cyclopropylmethoxy)-3-propoxybenzene;1-[(3-propoxyphenoxy)methyl]cycloheptan-1-ol;1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol;(3-propoxyphenoxy)methylcyclooctane;2-[(3-propoxyphenoxy)methyl]oxane is CCCOc1cccc(OCC2(O)CCCCC2)c1.CCCOc1cccc(OCC2(O)CCCCCC2)c1.CCCOc1cccc(OCC2CC2)c1.CCCOc1cccc(OCC2CCC2)c1.CCCOc1cccc(OCC2CCCC2)c1.CCCOc1cccc(OCC2CCCCCCC2)c1.CCCOc1cccc(OCC2CCCCO2)c1.CC[C@@H](C)Oc1cccc(OCC2CCCC2)c1.CC[C@@H](C)Oc1cccc(OCC2CCCCC2)c1.CC[C@H](C)Oc1cccc(OCC2CCCC2)c1.CC[C@H](C)Oc1cccc(OCC2CCCCC2)c1.
What is the InChIKey of 1-[(2R)-butan-2-yl]oxy-3-(cyclohexylmethoxy)benzene;1-[(2S)-butan-2-yl]oxy-3-(cyclohexylmethoxy)benzene;1-[(2R)-butan-2-yl]oxy-3-(cyclopentylmethoxy)benzene;1-[(2S)-butan-2-yl]oxy-3-(cyclopentylmethoxy)benzene;1-(cyclobutylmethoxy)-3-propoxybenzene;1-(cyclopentylmethoxy)-3-propoxybenzene;1-(cyclopropylmethoxy)-3-propoxybenzene;1-[(3-propoxyphenoxy)methyl]cycloheptan-1-ol;1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol;(3-propoxyphenoxy)methylcyclooctane;2-[(3-propoxyphenoxy)methyl]oxane?
The InChIKey is YXYKRVGMSQHXLK-OUUSJSAOSA-N. The full InChI is InChI=1S/C18H28O2.C17H26O3.2C17H26O2.C16H24O3.2C16H24O2.C15H22O3.C15H22O2.C14H20O2.C13H18O2/c1-2-13-19-17-11-8-12-18(14-17)20-15-16-9-6-4-3-5-7-10-16;1-2-12-19-15-8-7-9-16(13-15)20-14-17(18)10-5-3-4-6-11-17;2*1-3-14(2)19-17-11-7-10-16(12-17)18-13-15-8-5-4-6-9-15;1-2-11-18-14-7-6-8-15(12-14)19-13-16(17)9-4-3-5-10-16;2*1-3-13(2)18-16-10-6-9-15(11-16)17-12-14-7-4-5-8-14;1-2-9-16-13-7-5-8-14(11-13)18-12-15-6-3-4-10-17-15;1-2-10-16-14-8-5-9-15(11-14)17-12-13-6-3-4-7-13;1-2-9-15-13-7-4-8-14(10-13)16-11-12-5-3-6-12;1-2-8-14-12-4-3-5-13(9-12)15-10-11-6-7-11/h8,11-12,14,16H,2-7,9-10,13,15H2,1H3;7-9,13,18H,2-6,10-12,14H2,1H3;2*7,10-12,14-15H,3-6,8-9,13H2,1-2H3;6-8,12,17H,2-5,9-11,13H2,1H3;2*6,9-11,13-14H,3-5,7-8,12H2,1-2H3;5,7-8,11,15H,2-4,6,9-10,12H2,1H3;5,8-9,11,13H,2-4,6-7,10,12H2,1H3;4,7-8,10,12H,2-3,5-6,9,11H2,1H3;3-5,9,11H,2,6-8,10H2,1H3/t;;2*14-;;2*13-;;;;/m..10.10..../s1.
What are the key properties of 1-[(2R)-butan-2-yl]oxy-3-(cyclohexylmethoxy)benzene;1-[(2S)-butan-2-yl]oxy-3-(cyclohexylmethoxy)benzene;1-[(2R)-butan-2-yl]oxy-3-(cyclopentylmethoxy)benzene;1-[(2S)-butan-2-yl]oxy-3-(cyclopentylmethoxy)benzene;1-(cyclobutylmethoxy)-3-propoxybenzene;1-(cyclopentylmethoxy)-3-propoxybenzene;1-(cyclopropylmethoxy)-3-propoxybenzene;1-[(3-propoxyphenoxy)methyl]cycloheptan-1-ol;1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol;(3-propoxyphenoxy)methylcyclooctane;2-[(3-propoxyphenoxy)methyl]oxane?
1-[(2R)-butan-2-yl]oxy-3-(cyclohexylmethoxy)benzene;1-[(2S)-butan-2-yl]oxy-3-(cyclohexylmethoxy)benzene;1-[(2R)-butan-2-yl]oxy-3-(cyclopentylmethoxy)benzene;1-[(2S)-butan-2-yl]oxy-3-(cyclopentylmethoxy)benzene;1-(cyclobutylmethoxy)-3-propoxybenzene;1-(cyclopentylmethoxy)-3-propoxybenzene;1-(cyclopropylmethoxy)-3-propoxybenzene;1-[(3-propoxyphenoxy)methyl]cycloheptan-1-ol;1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol;(3-propoxyphenoxy)methylcyclooctane;2-[(3-propoxyphenoxy)methyl]oxane has a molecular weight of 2751.97 g/mol, XLogP of 45.60, 66 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-butan-2-yl]oxy-3-(cyclohexylmethoxy)benzene;1-[(2S)-butan-2-yl]oxy-3-(cyclohexylmethoxy)benzene;1-[(2R)-butan-2-yl]oxy-3-(cyclopentylmethoxy)benzene;1-[(2S)-butan-2-yl]oxy-3-(cyclopentylmethoxy)benzene;1-(cyclobutylmethoxy)-3-propoxybenzene;1-(cyclopentylmethoxy)-3-propoxybenzene;1-(cyclopropylmethoxy)-3-propoxybenzene;1-[(3-propoxyphenoxy)methyl]cycloheptan-1-ol;1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol;(3-propoxyphenoxy)methylcyclooctane;2-[(3-propoxyphenoxy)methyl]oxane is sourced from PubChem (CID 162046468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).