2-cyclohexyl-4-[5-[4-[5-(3-cyclohexyl-4-methylphenyl)-2-bicyclo[2.2.1]heptanyl]butyl]-2-bicyclo[2.2.1]heptanyl]phenol

C43H60O — CID 66835718

IUPAC2-cyclohexyl-4-[5-[4-[5-(3-cyclohexyl-4-methylphenyl)-2-bicyclo[2.2.1]heptanyl]butyl]-2-bicyclo[2.2.1]heptanyl]phenol
SMILESCc1ccc(C2CC3CC2CC3CCCCC2CC3CC2CC3c2ccc(O)c(C3CCCCC3)c2)cc1C1CCCCC1
InChIInChI=1S/C43H60O/c1-28-16-17-33(24-39(28)29-10-4-2-5-11-29)40-26-35-22-37(40)20-31(35)14-8-9-15-32-21-38-23-36(32)27-41(38)34-18-19-43(44)42(25-34)30-12-6-3-7-13-30/h16-19,24-25,29-32,35-38,40-41,44H,2-15,20-23,26-27H2,1H3
InChIKeyXNWWDVMHMRDHFM-UHFFFAOYSA-N
MW592.95 g/mol
LogP12.32
Rot. Bonds9

About 2-cyclohexyl-4-[5-[4-[5-(3-cyclohexyl-4-methylphenyl)-2-bicyclo[2.2.1]heptanyl]butyl]-2-bicyclo[2.2.1]heptanyl]phenol

2-cyclohexyl-4-[5-[4-[5-(3-cyclohexyl-4-methylphenyl)-2-bicyclo[2.2.1]heptanyl]butyl]-2-bicyclo[2.2.1]heptanyl]phenol (PubChem CID 66835718) has the molecular formula C43H60O and a molecular weight of 592.95 g/mol. Its IUPAC name is 2-cyclohexyl-4-[5-[4-[5-(3-cyclohexyl-4-methylphenyl)-2-bicyclo[2.2.1]heptanyl]butyl]-2-bicyclo[2.2.1]heptanyl]phenol.

Molecular Properties

Compound Name2-cyclohexyl-4-[5-[4-[5-(3-cyclohexyl-4-methylphenyl)-2-bicyclo[2.2.1]heptanyl]butyl]-2-bicyclo[2.2.1]heptanyl]phenol
PubChem CID66835718
Molecular FormulaC43H60O
Molecular Weight592.95 g/mol
Exact Mass592.46
IUPAC Name2-cyclohexyl-4-[5-[4-[5-(3-cyclohexyl-4-methylphenyl)-2-bicyclo[2.2.1]heptanyl]butyl]-2-bicyclo[2.2.1]heptanyl]phenol
SMILESCc1ccc(C2CC3CC2CC3CCCCC2CC3CC2CC3c2ccc(O)c(C3CCCCC3)c2)cc1C1CCCCC1
InChIInChI=1S/C43H60O/c1-28-16-17-33(24-39(28)29-10-4-2-5-11-29)40-26-35-22-37(40)20-31(35)14-8-9-15-32-21-38-23-36(32)27-41(38)34-18-19-43(44)42(25-34)30-12-6-3-7-13-30/h16-19,24-25,29-32,35-38,40-41,44H,2-15,20-23,26-27H2,1H3
InChIKeyXNWWDVMHMRDHFM-UHFFFAOYSA-N
XLogP12.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.95
LogP ≤ 512.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-cyclohexyl-4-[5-[4-[5-(3-cyclohexyl-4-methylphenyl)-2-bicyclo[2.2.1]heptanyl]butyl]-2-bicyclo[2.2.1]heptanyl]phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-[5-[4-[5-(3-cyclohexyl-4-methylphenyl)-2-bicyclo[2.2.1]heptanyl]butyl]-2-bicyclo[2.2.1]heptanyl]phenol?
The IUPAC name of 2-cyclohexyl-4-[5-[4-[5-(3-cyclohexyl-4-methylphenyl)-2-bicyclo[2.2.1]heptanyl]butyl]-2-bicyclo[2.2.1]heptanyl]phenol (CID 66835718) is 2-cyclohexyl-4-[5-[4-[5-(3-cyclohexyl-4-methylphenyl)-2-bicyclo[2.2.1]heptanyl]butyl]-2-bicyclo[2.2.1]heptanyl]phenol.
What is the SMILES notation for 2-cyclohexyl-4-[5-[4-[5-(3-cyclohexyl-4-methylphenyl)-2-bicyclo[2.2.1]heptanyl]butyl]-2-bicyclo[2.2.1]heptanyl]phenol?
The canonical SMILES for 2-cyclohexyl-4-[5-[4-[5-(3-cyclohexyl-4-methylphenyl)-2-bicyclo[2.2.1]heptanyl]butyl]-2-bicyclo[2.2.1]heptanyl]phenol is Cc1ccc(C2CC3CC2CC3CCCCC2CC3CC2CC3c2ccc(O)c(C3CCCCC3)c2)cc1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-4-[5-[4-[5-(3-cyclohexyl-4-methylphenyl)-2-bicyclo[2.2.1]heptanyl]butyl]-2-bicyclo[2.2.1]heptanyl]phenol?
The InChIKey is XNWWDVMHMRDHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H60O/c1-28-16-17-33(24-39(28)29-10-4-2-5-11-29)40-26-35-22-37(40)20-31(35)14-8-9-15-32-21-38-23-36(32)27-41(38)34-18-19-43(44)42(25-34)30-12-6-3-7-13-30/h16-19,24-25,29-32,35-38,40-41,44H,2-15,20-23,26-27H2,1H3.
What are the key properties of 2-cyclohexyl-4-[5-[4-[5-(3-cyclohexyl-4-methylphenyl)-2-bicyclo[2.2.1]heptanyl]butyl]-2-bicyclo[2.2.1]heptanyl]phenol?
2-cyclohexyl-4-[5-[4-[5-(3-cyclohexyl-4-methylphenyl)-2-bicyclo[2.2.1]heptanyl]butyl]-2-bicyclo[2.2.1]heptanyl]phenol has a molecular weight of 592.95 g/mol, XLogP of 12.32, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-[5-[4-[5-(3-cyclohexyl-4-methylphenyl)-2-bicyclo[2.2.1]heptanyl]butyl]-2-bicyclo[2.2.1]heptanyl]phenol is sourced from PubChem (CID 66835718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).