3-[[5-hydroxy-2-[3-(1-phenylethyl)cyclohexyl]phenyl]methyl]-4-[3-(1-phenylethyl)cyclohexyl]phenol

C41H48O2 — CID 101304099

IUPAC3-[[5-hydroxy-2-[3-(1-phenylethyl)cyclohexyl]phenyl]methyl]-4-[3-(1-phenylethyl)cyclohexyl]phenol
SMILESCC(c1ccccc1)C1CCCC(c2ccc(O)cc2Cc2cc(O)ccc2C2CCCC(C(C)c3ccccc3)C2)C1
InChIInChI=1S/C41H48O2/c1-28(30-11-5-3-6-12-30)32-15-9-17-34(23-32)40-21-19-38(42)26-36(40)25-37-27-39(43)20-22-41(37)35-18-10-16-33(24-35)29(2)31-13-7-4-8-14-31/h3-8,11-14,19-22,26-29,32-35,42-43H,9-10,15-18,23-25H2,1-2H3
InChIKeyNZNIMMITCXFPBZ-UHFFFAOYSA-N
MW572.83 g/mol
LogP10.84
Rot. Bonds8

About 3-[[5-hydroxy-2-[3-(1-phenylethyl)cyclohexyl]phenyl]methyl]-4-[3-(1-phenylethyl)cyclohexyl]phenol

3-[[5-hydroxy-2-[3-(1-phenylethyl)cyclohexyl]phenyl]methyl]-4-[3-(1-phenylethyl)cyclohexyl]phenol (PubChem CID 101304099) has the molecular formula C41H48O2 and a molecular weight of 572.83 g/mol. Its IUPAC name is 3-[[5-hydroxy-2-[3-(1-phenylethyl)cyclohexyl]phenyl]methyl]-4-[3-(1-phenylethyl)cyclohexyl]phenol.

Molecular Properties

Compound Name3-[[5-hydroxy-2-[3-(1-phenylethyl)cyclohexyl]phenyl]methyl]-4-[3-(1-phenylethyl)cyclohexyl]phenol
PubChem CID101304099
Molecular FormulaC41H48O2
Molecular Weight572.83 g/mol
Exact Mass572.37
IUPAC Name3-[[5-hydroxy-2-[3-(1-phenylethyl)cyclohexyl]phenyl]methyl]-4-[3-(1-phenylethyl)cyclohexyl]phenol
SMILESCC(c1ccccc1)C1CCCC(c2ccc(O)cc2Cc2cc(O)ccc2C2CCCC(C(C)c3ccccc3)C2)C1
InChIInChI=1S/C41H48O2/c1-28(30-11-5-3-6-12-30)32-15-9-17-34(23-32)40-21-19-38(42)26-36(40)25-37-27-39(43)20-22-41(37)35-18-10-16-33(24-35)29(2)31-13-7-4-8-14-31/h3-8,11-14,19-22,26-29,32-35,42-43H,9-10,15-18,23-25H2,1-2H3
InChIKeyNZNIMMITCXFPBZ-UHFFFAOYSA-N
XLogP10.84
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.83
LogP ≤ 510.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[[5-hydroxy-2-[3-(1-phenylethyl)cyclohexyl]phenyl]methyl]-4-[3-(1-phenylethyl)cyclohexyl]phenol with MolForge

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Related Compounds

2-[[2-hydroxy-6-[3-(1-phenylethyl)cyclohexyl]phenyl]methyl]-3-[3-(1-phenylethyl)cyclohexyl]phenol
CID 101304078
1-cyclobutylethylbenzene
CID 22024745
[(1S)-1-cyclopentylethyl]benzene
CID 102346711
4-cyclohexyl-3-(1-phenylethyl)phenol
CID 101304185
3-[1-(thian-3-yl)ethyl]phenol
CID 115033656
3-[(4R)-4-cyclobutylpentan-2-yl]phenol
CID 142796254
4-(3-propan-2-ylcyclohexyl)phenol
CID 139438359
5-[[3-hydroxy-4-[2-(1-phenylethyl)cyclohexyl]phenyl]methyl]-2-[2-(1-phenylethyl)cyclohexyl]phenol
CID 101304092
1-propan-2-yl-3-(3-propan-2-ylcyclohexyl)benzene
CID 174725308
1-(2-phenylpropylamino)-2,3-dihydro-1H-inden-5-ol
CID 107681875
3-(1-cyclobutylethyl)aniline
CID 115014570
5-[1-(3-ethylcyclohexyl)ethyl]-1,2,3-trifluorobenzene
CID 90991272

Frequently Asked Questions

What is the IUPAC name of 3-[[5-hydroxy-2-[3-(1-phenylethyl)cyclohexyl]phenyl]methyl]-4-[3-(1-phenylethyl)cyclohexyl]phenol?
The IUPAC name of 3-[[5-hydroxy-2-[3-(1-phenylethyl)cyclohexyl]phenyl]methyl]-4-[3-(1-phenylethyl)cyclohexyl]phenol (CID 101304099) is 3-[[5-hydroxy-2-[3-(1-phenylethyl)cyclohexyl]phenyl]methyl]-4-[3-(1-phenylethyl)cyclohexyl]phenol.
What is the SMILES notation for 3-[[5-hydroxy-2-[3-(1-phenylethyl)cyclohexyl]phenyl]methyl]-4-[3-(1-phenylethyl)cyclohexyl]phenol?
The canonical SMILES for 3-[[5-hydroxy-2-[3-(1-phenylethyl)cyclohexyl]phenyl]methyl]-4-[3-(1-phenylethyl)cyclohexyl]phenol is CC(c1ccccc1)C1CCCC(c2ccc(O)cc2Cc2cc(O)ccc2C2CCCC(C(C)c3ccccc3)C2)C1.
What is the InChIKey of 3-[[5-hydroxy-2-[3-(1-phenylethyl)cyclohexyl]phenyl]methyl]-4-[3-(1-phenylethyl)cyclohexyl]phenol?
The InChIKey is NZNIMMITCXFPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H48O2/c1-28(30-11-5-3-6-12-30)32-15-9-17-34(23-32)40-21-19-38(42)26-36(40)25-37-27-39(43)20-22-41(37)35-18-10-16-33(24-35)29(2)31-13-7-4-8-14-31/h3-8,11-14,19-22,26-29,32-35,42-43H,9-10,15-18,23-25H2,1-2H3.
What are the key properties of 3-[[5-hydroxy-2-[3-(1-phenylethyl)cyclohexyl]phenyl]methyl]-4-[3-(1-phenylethyl)cyclohexyl]phenol?
3-[[5-hydroxy-2-[3-(1-phenylethyl)cyclohexyl]phenyl]methyl]-4-[3-(1-phenylethyl)cyclohexyl]phenol has a molecular weight of 572.83 g/mol, XLogP of 10.84, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-hydroxy-2-[3-(1-phenylethyl)cyclohexyl]phenyl]methyl]-4-[3-(1-phenylethyl)cyclohexyl]phenol is sourced from PubChem (CID 101304099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).