2-(2-heptyl-4-propan-2-ylphenyl)phenol

C22H30O — CID 152650240

IUPAC2-(2-heptyl-4-propan-2-ylphenyl)phenol
SMILESCCCCCCCc1cc(C(C)C)ccc1-c1ccccc1O
InChIInChI=1S/C22H30O/c1-4-5-6-7-8-11-19-16-18(17(2)3)14-15-20(19)21-12-9-10-13-22(21)23/h9-10,12-17,23H,4-8,11H2,1-3H3
InChIKeyZHKFCNDALPDOCK-UHFFFAOYSA-N
MW310.48 g/mol
LogP6.70
Rot. Bonds8

About 2-(2-heptyl-4-propan-2-ylphenyl)phenol

2-(2-heptyl-4-propan-2-ylphenyl)phenol (PubChem CID 152650240) has the molecular formula C22H30O and a molecular weight of 310.48 g/mol. Its IUPAC name is 2-(2-heptyl-4-propan-2-ylphenyl)phenol.

Molecular Properties

Compound Name2-(2-heptyl-4-propan-2-ylphenyl)phenol
PubChem CID152650240
Molecular FormulaC22H30O
Molecular Weight310.48 g/mol
Exact Mass310.23
IUPAC Name2-(2-heptyl-4-propan-2-ylphenyl)phenol
SMILESCCCCCCCc1cc(C(C)C)ccc1-c1ccccc1O
InChIInChI=1S/C22H30O/c1-4-5-6-7-8-11-19-16-18(17(2)3)14-15-20(19)21-12-9-10-13-22(21)23/h9-10,12-17,23H,4-8,11H2,1-3H3
InChIKeyZHKFCNDALPDOCK-UHFFFAOYSA-N
XLogP6.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.48
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(2-heptyl-4-propan-2-ylphenyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-pentylphenyl)phenol
CID 66866892
2-butyl-6-(4-propan-2-yl-2-propylphenyl)phenol
CID 151329532
2-(2,5-ditert-butyl-4-octylphenyl)phenol
CID 159042463
1-heptadecyl-5-propan-2-ylazulene
CID 19996670
1-hexadecyl-5-propan-2-ylazulene
CID 19815774
2-(2-hydroxyphenyl)-6-pentylphenol
CID 174858636
4-hexyl-2-(2-hydroxyphenyl)phenol
CID 139699928
2-(3-pentyl-4-pyridinyl)phenol
CID 135745178
2-dodecylphenol
CID 160834917
2-pentadecyl-5-propan-2-yl-1-tetradecylazulene
CID 19815745
sodium;hydride;3-pentyl-7-propan-2-ylazulene-1-sulfonic acid
CID 173409983
CID 158595082
CID 158595082

Frequently Asked Questions

What is the IUPAC name of 2-(2-heptyl-4-propan-2-ylphenyl)phenol?
The IUPAC name of 2-(2-heptyl-4-propan-2-ylphenyl)phenol (CID 152650240) is 2-(2-heptyl-4-propan-2-ylphenyl)phenol.
What is the SMILES notation for 2-(2-heptyl-4-propan-2-ylphenyl)phenol?
The canonical SMILES for 2-(2-heptyl-4-propan-2-ylphenyl)phenol is CCCCCCCc1cc(C(C)C)ccc1-c1ccccc1O.
What is the InChIKey of 2-(2-heptyl-4-propan-2-ylphenyl)phenol?
The InChIKey is ZHKFCNDALPDOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O/c1-4-5-6-7-8-11-19-16-18(17(2)3)14-15-20(19)21-12-9-10-13-22(21)23/h9-10,12-17,23H,4-8,11H2,1-3H3.
What are the key properties of 2-(2-heptyl-4-propan-2-ylphenyl)phenol?
2-(2-heptyl-4-propan-2-ylphenyl)phenol has a molecular weight of 310.48 g/mol, XLogP of 6.70, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-heptyl-4-propan-2-ylphenyl)phenol is sourced from PubChem (CID 152650240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).