4-[2-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenol

C31H38O — CID 139457537

IUPAC4-[2-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenol
SMILESCCCCCC1CCC(c2ccc(-c3ccc(-c4ccc(O)cc4)c(CC)c3)cc2)CC1
InChIInChI=1S/C31H38O/c1-3-5-6-7-23-8-10-25(11-9-23)26-12-14-27(15-13-26)29-18-21-31(24(4-2)22-29)28-16-19-30(32)20-17-28/h12-23,25,32H,3-11H2,1-2H3
InChIKeyIBRPSRZCKAXIKA-UHFFFAOYSA-N
MW426.64 g/mol
LogP9.14
Rot. Bonds8

About 4-[2-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenol

4-[2-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenol (PubChem CID 139457537) has the molecular formula C31H38O and a molecular weight of 426.64 g/mol. Its IUPAC name is 4-[2-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenol.

Molecular Properties

Compound Name4-[2-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenol
PubChem CID139457537
Molecular FormulaC31H38O
Molecular Weight426.64 g/mol
Exact Mass426.29
IUPAC Name4-[2-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenol
SMILESCCCCCC1CCC(c2ccc(-c3ccc(-c4ccc(O)cc4)c(CC)c3)cc2)CC1
InChIInChI=1S/C31H38O/c1-3-5-6-7-23-8-10-25(11-9-23)26-12-14-27(15-13-26)29-18-21-31(24(4-2)22-29)28-16-19-30(32)20-17-28/h12-23,25,32H,3-11H2,1-2H3
InChIKeyIBRPSRZCKAXIKA-UHFFFAOYSA-N
XLogP9.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.64
LogP ≤ 59.14
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-[2-chloro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenol
CID 138691001
[3-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]methanol
CID 118150513
4-butyl-2-ethyl-1-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 162428601
1-[4-[2-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]anilino]prop-2-en-1-ol
CID 135218667
4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]phenol
CID 142281267
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
N-[3-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]prop-2-enamide
CID 135214843
4-[4-(4-heptylcyclohexyl)cyclohexyl]phenol
CID 139983091
N-[2-[4-[3-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenoxy]ethyl]-2-methylprop-2-enamide
CID 135214961
3-[4-[3-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenyl]-N-methoxysulfanyl-N-methylpropan-1-amine
CID 135218755

Frequently Asked Questions

What is the IUPAC name of 4-[2-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenol?
The IUPAC name of 4-[2-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenol (CID 139457537) is 4-[2-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenol.
What is the SMILES notation for 4-[2-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenol?
The canonical SMILES for 4-[2-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenol is CCCCCC1CCC(c2ccc(-c3ccc(-c4ccc(O)cc4)c(CC)c3)cc2)CC1.
What is the InChIKey of 4-[2-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenol?
The InChIKey is IBRPSRZCKAXIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38O/c1-3-5-6-7-23-8-10-25(11-9-23)26-12-14-27(15-13-26)29-18-21-31(24(4-2)22-29)28-16-19-30(32)20-17-28/h12-23,25,32H,3-11H2,1-2H3.
What are the key properties of 4-[2-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenol?
4-[2-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenol has a molecular weight of 426.64 g/mol, XLogP of 9.14, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenol is sourced from PubChem (CID 139457537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).