2-[[2-hydroxy-6-[3-(1-phenylethyl)cyclohexyl]phenyl]methyl]-3-[3-(1-phenylethyl)cyclohexyl]phenol

C41H48O2 — CID 101304078

IUPAC2-[[2-hydroxy-6-[3-(1-phenylethyl)cyclohexyl]phenyl]methyl]-3-[3-(1-phenylethyl)cyclohexyl]phenol
SMILESCC(c1ccccc1)C1CCCC(c2cccc(O)c2Cc2c(O)cccc2C2CCCC(C(C)c3ccccc3)C2)C1
InChIInChI=1S/C41H48O2/c1-28(30-13-5-3-6-14-30)32-17-9-19-34(25-32)36-21-11-23-40(42)38(36)27-39-37(22-12-24-41(39)43)35-20-10-18-33(26-35)29(2)31-15-7-4-8-16-31/h3-8,11-16,21-24,28-29,32-35,42-43H,9-10,17-20,25-27H2,1-2H3
InChIKeyZPTBJLGPQPOMAK-UHFFFAOYSA-N
MW572.83 g/mol
LogP10.84
Rot. Bonds8

About 2-[[2-hydroxy-6-[3-(1-phenylethyl)cyclohexyl]phenyl]methyl]-3-[3-(1-phenylethyl)cyclohexyl]phenol

2-[[2-hydroxy-6-[3-(1-phenylethyl)cyclohexyl]phenyl]methyl]-3-[3-(1-phenylethyl)cyclohexyl]phenol (PubChem CID 101304078) has the molecular formula C41H48O2 and a molecular weight of 572.83 g/mol. Its IUPAC name is 2-[[2-hydroxy-6-[3-(1-phenylethyl)cyclohexyl]phenyl]methyl]-3-[3-(1-phenylethyl)cyclohexyl]phenol.

Molecular Properties

Compound Name2-[[2-hydroxy-6-[3-(1-phenylethyl)cyclohexyl]phenyl]methyl]-3-[3-(1-phenylethyl)cyclohexyl]phenol
PubChem CID101304078
Molecular FormulaC41H48O2
Molecular Weight572.83 g/mol
Exact Mass572.37
IUPAC Name2-[[2-hydroxy-6-[3-(1-phenylethyl)cyclohexyl]phenyl]methyl]-3-[3-(1-phenylethyl)cyclohexyl]phenol
SMILESCC(c1ccccc1)C1CCCC(c2cccc(O)c2Cc2c(O)cccc2C2CCCC(C(C)c3ccccc3)C2)C1
InChIInChI=1S/C41H48O2/c1-28(30-13-5-3-6-14-30)32-17-9-19-34(25-32)36-21-11-23-40(42)38(36)27-39-37(22-12-24-41(39)43)35-20-10-18-33(26-35)29(2)31-15-7-4-8-16-31/h3-8,11-16,21-24,28-29,32-35,42-43H,9-10,17-20,25-27H2,1-2H3
InChIKeyZPTBJLGPQPOMAK-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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-6-[3-(1-phenylethyl)cyclohexyl]phenyl]methyl]-3-[3-(1-phenylethyl)cyclohexyl]phenol?
The IUPAC name of 2-[[2-hydroxy-6-[3-(1-phenylethyl)cyclohexyl]phenyl]methyl]-3-[3-(1-phenylethyl)cyclohexyl]phenol (CID 101304078) is 2-[[2-hydroxy-6-[3-(1-phenylethyl)cyclohexyl]phenyl]methyl]-3-[3-(1-phenylethyl)cyclohexyl]phenol.
What is the SMILES notation for 2-[[2-hydroxy-6-[3-(1-phenylethyl)cyclohexyl]phenyl]methyl]-3-[3-(1-phenylethyl)cyclohexyl]phenol?
The canonical SMILES for 2-[[2-hydroxy-6-[3-(1-phenylethyl)cyclohexyl]phenyl]methyl]-3-[3-(1-phenylethyl)cyclohexyl]phenol is CC(c1ccccc1)C1CCCC(c2cccc(O)c2Cc2c(O)cccc2C2CCCC(C(C)c3ccccc3)C2)C1.
What is the InChIKey of 2-[[2-hydroxy-6-[3-(1-phenylethyl)cyclohexyl]phenyl]methyl]-3-[3-(1-phenylethyl)cyclohexyl]phenol?
The InChIKey is ZPTBJLGPQPOMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H48O2/c1-28(30-13-5-3-6-14-30)32-17-9-19-34(25-32)36-21-11-23-40(42)38(36)27-39-37(22-12-24-41(39)43)35-20-10-18-33(26-35)29(2)31-15-7-4-8-16-31/h3-8,11-16,21-24,28-29,32-35,42-43H,9-10,17-20,25-27H2,1-2H3.
What are the key properties of 2-[[2-hydroxy-6-[3-(1-phenylethyl)cyclohexyl]phenyl]methyl]-3-[3-(1-phenylethyl)cyclohexyl]phenol?
2-[[2-hydroxy-6-[3-(1-phenylethyl)cyclohexyl]phenyl]methyl]-3-[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 2-[[2-hydroxy-6-[3-(1-phenylethyl)cyclohexyl]phenyl]methyl]-3-[3-(1-phenylethyl)cyclohexyl]phenol is sourced from PubChem (CID 101304078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).