1-[2-[3-(4-phenylcyclohexyl)propyl]-4-phenylmethoxyphenyl]propan-1-ol

C31H38O2 — CID 70218876

IUPAC1-[2-[3-(4-phenylcyclohexyl)propyl]-4-phenylmethoxyphenyl]propan-1-ol
SMILESCCC(O)c1ccc(OCc2ccccc2)cc1CCCC1CCC(c2ccccc2)CC1
InChIInChI=1S/C31H38O2/c1-2-31(32)30-21-20-29(33-23-25-10-5-3-6-11-25)22-28(30)15-9-12-24-16-18-27(19-17-24)26-13-7-4-8-14-26/h3-8,10-11,13-14,20-22,24,27,31-32H,2,9,12,15-19,23H2,1H3
InChIKeyBWEAWXXYRSAVHH-UHFFFAOYSA-N
MW442.64 g/mol
LogP8.01
Rot. Bonds10

About 1-[2-[3-(4-phenylcyclohexyl)propyl]-4-phenylmethoxyphenyl]propan-1-ol

1-[2-[3-(4-phenylcyclohexyl)propyl]-4-phenylmethoxyphenyl]propan-1-ol (PubChem CID 70218876) has the molecular formula C31H38O2 and a molecular weight of 442.64 g/mol. Its IUPAC name is 1-[2-[3-(4-phenylcyclohexyl)propyl]-4-phenylmethoxyphenyl]propan-1-ol.

Molecular Properties

Compound Name1-[2-[3-(4-phenylcyclohexyl)propyl]-4-phenylmethoxyphenyl]propan-1-ol
PubChem CID70218876
Molecular FormulaC31H38O2
Molecular Weight442.64 g/mol
Exact Mass442.29
IUPAC Name1-[2-[3-(4-phenylcyclohexyl)propyl]-4-phenylmethoxyphenyl]propan-1-ol
SMILESCCC(O)c1ccc(OCc2ccccc2)cc1CCCC1CCC(c2ccccc2)CC1
InChIInChI=1S/C31H38O2/c1-2-31(32)30-21-20-29(33-23-25-10-5-3-6-11-25)22-28(30)15-9-12-24-16-18-27(19-17-24)26-13-7-4-8-14-26/h3-8,10-11,13-14,20-22,24,27,31-32H,2,9,12,15-19,23H2,1H3
InChIKeyBWEAWXXYRSAVHH-UHFFFAOYSA-N
XLogP8.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.64
LogP ≤ 58.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenylmethoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 58660419
1-butoxy-4-[[4-(4-pentylcyclohexyl)phenyl]methoxy]benzene
CID 54111085
4-(4-phenylmethoxyphenyl)cyclohexan-1-ol
CID 19602799
pentakis(4-[[4-(4-butylcyclohexyl)phenyl]methoxy]benzenethiol);pentahydrofluoride
CID 173376017
1,2-difluoro-4-[[4-(4-propylcyclohexyl)phenyl]methoxy]benzene
CID 22440333
2-[(1R)-1-aminopropyl]-5-phenylmethoxyphenol;hydrochloride
CID 171214454
(4aR,6R,8aR)-2-pentyl-6-[4-(4-phenylmethoxyphenyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809464
4-phenyl-1-[[4-(4-phenylmethoxyphenyl)cyclohexyl]amino]butan-1-ol
CID 70256391
1-methoxy-3-[4-(4-phenylbutyl)cyclohexyl]benzene
CID 143036080
4-[[4-(4-butylcyclohexyl)phenoxy]methyl]-1,2-difluorobenzene
CID 67799683
1-(4-pentylcyclohexyl)-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 19021199
1-(4-butylcyclohexyl)-4-ethoxybenzene
CID 3019938

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(4-phenylcyclohexyl)propyl]-4-phenylmethoxyphenyl]propan-1-ol?
The IUPAC name of 1-[2-[3-(4-phenylcyclohexyl)propyl]-4-phenylmethoxyphenyl]propan-1-ol (CID 70218876) is 1-[2-[3-(4-phenylcyclohexyl)propyl]-4-phenylmethoxyphenyl]propan-1-ol.
What is the SMILES notation for 1-[2-[3-(4-phenylcyclohexyl)propyl]-4-phenylmethoxyphenyl]propan-1-ol?
The canonical SMILES for 1-[2-[3-(4-phenylcyclohexyl)propyl]-4-phenylmethoxyphenyl]propan-1-ol is CCC(O)c1ccc(OCc2ccccc2)cc1CCCC1CCC(c2ccccc2)CC1.
What is the InChIKey of 1-[2-[3-(4-phenylcyclohexyl)propyl]-4-phenylmethoxyphenyl]propan-1-ol?
The InChIKey is BWEAWXXYRSAVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38O2/c1-2-31(32)30-21-20-29(33-23-25-10-5-3-6-11-25)22-28(30)15-9-12-24-16-18-27(19-17-24)26-13-7-4-8-14-26/h3-8,10-11,13-14,20-22,24,27,31-32H,2,9,12,15-19,23H2,1H3.
What are the key properties of 1-[2-[3-(4-phenylcyclohexyl)propyl]-4-phenylmethoxyphenyl]propan-1-ol?
1-[2-[3-(4-phenylcyclohexyl)propyl]-4-phenylmethoxyphenyl]propan-1-ol has a molecular weight of 442.64 g/mol, XLogP of 8.01, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(4-phenylcyclohexyl)propyl]-4-phenylmethoxyphenyl]propan-1-ol is sourced from PubChem (CID 70218876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).