4-[4-[4-(1-pentan-2-ylcyclohexyl)butyl]phenyl]phenol

C27H38O — CID 67940783

IUPAC4-[4-[4-(1-pentan-2-ylcyclohexyl)butyl]phenyl]phenol
SMILESCCCC(C)C1(CCCCc2ccc(-c3ccc(O)cc3)cc2)CCCCC1
InChIInChI=1S/C27H38O/c1-3-9-22(2)27(19-6-4-7-20-27)21-8-5-10-23-11-13-24(14-12-23)25-15-17-26(28)18-16-25/h11-18,22,28H,3-10,19-21H2,1-2H3
InChIKeyJCZDZGPCHFMAKI-UHFFFAOYSA-N
MW378.60 g/mol
LogP8.16
Rot. Bonds9

About 4-[4-[4-(1-pentan-2-ylcyclohexyl)butyl]phenyl]phenol

4-[4-[4-(1-pentan-2-ylcyclohexyl)butyl]phenyl]phenol (PubChem CID 67940783) has the molecular formula C27H38O and a molecular weight of 378.60 g/mol. Its IUPAC name is 4-[4-[4-(1-pentan-2-ylcyclohexyl)butyl]phenyl]phenol.

Molecular Properties

Compound Name4-[4-[4-(1-pentan-2-ylcyclohexyl)butyl]phenyl]phenol
PubChem CID67940783
Molecular FormulaC27H38O
Molecular Weight378.60 g/mol
Exact Mass378.29
IUPAC Name4-[4-[4-(1-pentan-2-ylcyclohexyl)butyl]phenyl]phenol
SMILESCCCC(C)C1(CCCCc2ccc(-c3ccc(O)cc3)cc2)CCCCC1
InChIInChI=1S/C27H38O/c1-3-9-22(2)27(19-6-4-7-20-27)21-8-5-10-23-11-13-24(14-12-23)25-15-17-26(28)18-16-25/h11-18,22,28H,3-10,19-21H2,1-2H3
InChIKeyJCZDZGPCHFMAKI-UHFFFAOYSA-N
XLogP8.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.60
LogP ≤ 58.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[4-(4-propylphenyl)phenyl]propyl]phenol
CID 59265255
ethane;4-[3-[4-[4-[3-(4-hydroxyphenyl)propyl]phenyl]phenyl]propyl]phenol
CID 91387150
1-butyl-4-propan-2-ylbenzene;ethane;4-(4-hydroxyphenyl)phenol
CID 158673942
1-[2-(4-butylcyclohexyl)ethyl]-4-[4-(1-pentan-2-ylcyclohexyl)phenyl]benzene
CID 173404190
4-[4-(6-methoxyheptyl)phenyl]phenol
CID 139651988
4-[2-(4-pentylphenyl)ethyl]phenol
CID 57152203
4-(5-nonyl-2-pyridinyl)phenol
CID 135627063
4-(3,5-dimethyloctyl)phenol
CID 174906830
tris(4-octylphenol);propane
CID 90866185
CID 162318522
CID 162318522
nickel;4-octylphenol
CID 87833867
4-[2-(1-hexylcyclohexyl)-2-methylpropyl]phenol
CID 174631375

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(1-pentan-2-ylcyclohexyl)butyl]phenyl]phenol?
The IUPAC name of 4-[4-[4-(1-pentan-2-ylcyclohexyl)butyl]phenyl]phenol (CID 67940783) is 4-[4-[4-(1-pentan-2-ylcyclohexyl)butyl]phenyl]phenol.
What is the SMILES notation for 4-[4-[4-(1-pentan-2-ylcyclohexyl)butyl]phenyl]phenol?
The canonical SMILES for 4-[4-[4-(1-pentan-2-ylcyclohexyl)butyl]phenyl]phenol is CCCC(C)C1(CCCCc2ccc(-c3ccc(O)cc3)cc2)CCCCC1.
What is the InChIKey of 4-[4-[4-(1-pentan-2-ylcyclohexyl)butyl]phenyl]phenol?
The InChIKey is JCZDZGPCHFMAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38O/c1-3-9-22(2)27(19-6-4-7-20-27)21-8-5-10-23-11-13-24(14-12-23)25-15-17-26(28)18-16-25/h11-18,22,28H,3-10,19-21H2,1-2H3.
What are the key properties of 4-[4-[4-(1-pentan-2-ylcyclohexyl)butyl]phenyl]phenol?
4-[4-[4-(1-pentan-2-ylcyclohexyl)butyl]phenyl]phenol has a molecular weight of 378.60 g/mol, XLogP of 8.16, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(1-pentan-2-ylcyclohexyl)butyl]phenyl]phenol is sourced from PubChem (CID 67940783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).