2-[2-(2,3-dihexylphenyl)propan-2-yl]phenol

C27H40O — CID 66866652

IUPAC2-[2-(2,3-dihexylphenyl)propan-2-yl]phenol
SMILESCCCCCCc1cccc(C(C)(C)c2ccccc2O)c1CCCCCC
InChIInChI=1S/C27H40O/c1-5-7-9-11-16-22-17-15-20-24(23(22)18-12-10-8-6-2)27(3,4)25-19-13-14-21-26(25)28/h13-15,17,19-21,28H,5-12,16,18H2,1-4H3
InChIKeyZDEPJMVMXDJUMV-UHFFFAOYSA-N
MW380.62 g/mol
LogP7.96
Rot. Bonds12

About 2-[2-(2,3-dihexylphenyl)propan-2-yl]phenol

2-[2-(2,3-dihexylphenyl)propan-2-yl]phenol (PubChem CID 66866652) has the molecular formula C27H40O and a molecular weight of 380.62 g/mol. Its IUPAC name is 2-[2-(2,3-dihexylphenyl)propan-2-yl]phenol.

Molecular Properties

Compound Name2-[2-(2,3-dihexylphenyl)propan-2-yl]phenol
PubChem CID66866652
Molecular FormulaC27H40O
Molecular Weight380.62 g/mol
Exact Mass380.31
IUPAC Name2-[2-(2,3-dihexylphenyl)propan-2-yl]phenol
SMILESCCCCCCc1cccc(C(C)(C)c2ccccc2O)c1CCCCCC
InChIInChI=1S/C27H40O/c1-5-7-9-11-16-22-17-15-20-24(23(22)18-12-10-8-6-2)27(3,4)25-19-13-14-21-26(25)28/h13-15,17,19-21,28H,5-12,16,18H2,1-4H3
InChIKeyZDEPJMVMXDJUMV-UHFFFAOYSA-N
XLogP7.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.62
LogP ≤ 57.96
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

2-[2-[2-(2-decylphenyl)phenyl]propan-2-yl]phenol
CID 66867497
2-[2-(2,3-dibutylphenyl)butan-2-yl]phenol
CID 67180305
2,3-di(nonadecyl)phenol
CID 151687635
1-(2-chloropropan-2-yl)-2,3-didecylbenzene
CID 141248200
2-butyl-3-hexylphenol
CID 141346396
3-butyl-2-hexylphenol
CID 66867063
2-[2-(2-decylphenyl)butan-2-yl]phenol
CID 67178533
2-(2,3-dioctadecylphenyl)propan-2-amine;methane;hydrochloride
CID 173050627
1-dodecyl-2-octyl-3-tridecylbenzene
CID 175505104
1,2,3-tri(icosyl)benzene
CID 90987509
3-dodecyl-2-nonylphenol;phosphorous acid
CID 71149565
2-tert-butyl-6-pentadecylphenol
CID 151192860

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihexylphenyl)propan-2-yl]phenol?
The IUPAC name of 2-[2-(2,3-dihexylphenyl)propan-2-yl]phenol (CID 66866652) is 2-[2-(2,3-dihexylphenyl)propan-2-yl]phenol.
What is the SMILES notation for 2-[2-(2,3-dihexylphenyl)propan-2-yl]phenol?
The canonical SMILES for 2-[2-(2,3-dihexylphenyl)propan-2-yl]phenol is CCCCCCc1cccc(C(C)(C)c2ccccc2O)c1CCCCCC.
What is the InChIKey of 2-[2-(2,3-dihexylphenyl)propan-2-yl]phenol?
The InChIKey is ZDEPJMVMXDJUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40O/c1-5-7-9-11-16-22-17-15-20-24(23(22)18-12-10-8-6-2)27(3,4)25-19-13-14-21-26(25)28/h13-15,17,19-21,28H,5-12,16,18H2,1-4H3.
What are the key properties of 2-[2-(2,3-dihexylphenyl)propan-2-yl]phenol?
2-[2-(2,3-dihexylphenyl)propan-2-yl]phenol has a molecular weight of 380.62 g/mol, XLogP of 7.96, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihexylphenyl)propan-2-yl]phenol is sourced from PubChem (CID 66866652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).