2-(2-methylheptan-2-yl)-4-(2-phenylpropan-2-yl)phenol

C23H32O — CID 54404925

IUPAC2-(2-methylheptan-2-yl)-4-(2-phenylpropan-2-yl)phenol
SMILESCCCCCC(C)(C)c1cc(C(C)(C)c2ccccc2)ccc1O
InChIInChI=1S/C23H32O/c1-6-7-11-16-22(2,3)20-17-19(14-15-21(20)24)23(4,5)18-12-9-8-10-13-18/h8-10,12-15,17,24H,6-7,11,16H2,1-5H3
InChIKeyVPZXZUAPHXYDGF-UHFFFAOYSA-N
MW324.51 g/mol
LogP6.58
Rot. Bonds7

About 2-(2-methylheptan-2-yl)-4-(2-phenylpropan-2-yl)phenol

2-(2-methylheptan-2-yl)-4-(2-phenylpropan-2-yl)phenol (PubChem CID 54404925) has the molecular formula C23H32O and a molecular weight of 324.51 g/mol. Its IUPAC name is 2-(2-methylheptan-2-yl)-4-(2-phenylpropan-2-yl)phenol.

Molecular Properties

Compound Name2-(2-methylheptan-2-yl)-4-(2-phenylpropan-2-yl)phenol
PubChem CID54404925
Molecular FormulaC23H32O
Molecular Weight324.51 g/mol
Exact Mass324.25
IUPAC Name2-(2-methylheptan-2-yl)-4-(2-phenylpropan-2-yl)phenol
SMILESCCCCCC(C)(C)c1cc(C(C)(C)c2ccccc2)ccc1O
InChIInChI=1S/C23H32O/c1-6-7-11-16-22(2,3)20-17-19(14-15-21(20)24)23(4,5)18-12-9-8-10-13-18/h8-10,12-15,17,24H,6-7,11,16H2,1-5H3
InChIKeyVPZXZUAPHXYDGF-UHFFFAOYSA-N
XLogP6.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.51
LogP ≤ 56.58
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

2,5-bis(2-methylheptan-2-yl)phenol
CID 87703895
4-[2-(4-hydroxyphenyl)propan-2-yl]-2-(2,4,4-trimethylpentan-2-yl)phenol
CID 58983865
4-hydroxy-3-(2-methylpentadecan-2-yl)benzonitrile
CID 91884767
carbonic acid;2-(2-methylhexan-2-yl)phenol
CID 88685515
2-tert-butyl-4-[3-(3-tert-butyl-4-hydroxyphenyl)octan-3-yl]phenol
CID 139824967
2-tert-butyl-4-(19-propylheptatriacontan-19-yl)phenol
CID 139708321
3,6-bis(2-methylheptan-2-yl)benzene-1,2-diol
CID 54503359
2-[2-hydroxy-5-(2-methylheptan-2-yl)phenyl]sulfanyl-4-(2-methylheptan-2-yl)phenol;nickel(2+);diphenoxide
CID 173450828
2-[2-(2-hydroxyphenyl)octan-2-yl]phenol
CID 22402788
2,6-bis(2-methyloctan-2-yl)phenol
CID 87300429
2-(aminomethyl)-4-(2-phenylpropan-2-yl)phenol
CID 12652121
4-(2-phenyloctan-2-yl)phenol
CID 174541966

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylheptan-2-yl)-4-(2-phenylpropan-2-yl)phenol?
The IUPAC name of 2-(2-methylheptan-2-yl)-4-(2-phenylpropan-2-yl)phenol (CID 54404925) is 2-(2-methylheptan-2-yl)-4-(2-phenylpropan-2-yl)phenol.
What is the SMILES notation for 2-(2-methylheptan-2-yl)-4-(2-phenylpropan-2-yl)phenol?
The canonical SMILES for 2-(2-methylheptan-2-yl)-4-(2-phenylpropan-2-yl)phenol is CCCCCC(C)(C)c1cc(C(C)(C)c2ccccc2)ccc1O.
What is the InChIKey of 2-(2-methylheptan-2-yl)-4-(2-phenylpropan-2-yl)phenol?
The InChIKey is VPZXZUAPHXYDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O/c1-6-7-11-16-22(2,3)20-17-19(14-15-21(20)24)23(4,5)18-12-9-8-10-13-18/h8-10,12-15,17,24H,6-7,11,16H2,1-5H3.
What are the key properties of 2-(2-methylheptan-2-yl)-4-(2-phenylpropan-2-yl)phenol?
2-(2-methylheptan-2-yl)-4-(2-phenylpropan-2-yl)phenol has a molecular weight of 324.51 g/mol, XLogP of 6.58, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylheptan-2-yl)-4-(2-phenylpropan-2-yl)phenol is sourced from PubChem (CID 54404925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).