4-[6-methyl-6-phenyl-5-(2-phenylpropan-2-yl)heptyl]phenol

C29H36O — CID 66866176

IUPAC4-[6-methyl-6-phenyl-5-(2-phenylpropan-2-yl)heptyl]phenol
SMILESCC(C)(c1ccccc1)C(CCCCc1ccc(O)cc1)C(C)(C)c1ccccc1
InChIInChI=1S/C29H36O/c1-28(2,24-14-7-5-8-15-24)27(29(3,4)25-16-9-6-10-17-25)18-12-11-13-23-19-21-26(30)22-20-23/h5-10,14-17,19-22,27,30H,11-13,18H2,1-4H3
InChIKeyZYEVKOFAGLGQMP-UHFFFAOYSA-N
MW400.61 g/mol
LogP7.68
Rot. Bonds9

About 4-[6-methyl-6-phenyl-5-(2-phenylpropan-2-yl)heptyl]phenol

4-[6-methyl-6-phenyl-5-(2-phenylpropan-2-yl)heptyl]phenol (PubChem CID 66866176) has the molecular formula C29H36O and a molecular weight of 400.61 g/mol. Its IUPAC name is 4-[6-methyl-6-phenyl-5-(2-phenylpropan-2-yl)heptyl]phenol.

Molecular Properties

Compound Name4-[6-methyl-6-phenyl-5-(2-phenylpropan-2-yl)heptyl]phenol
PubChem CID66866176
Molecular FormulaC29H36O
Molecular Weight400.61 g/mol
Exact Mass400.28
IUPAC Name4-[6-methyl-6-phenyl-5-(2-phenylpropan-2-yl)heptyl]phenol
SMILESCC(C)(c1ccccc1)C(CCCCc1ccc(O)cc1)C(C)(C)c1ccccc1
InChIInChI=1S/C29H36O/c1-28(2,24-14-7-5-8-15-24)27(29(3,4)25-16-9-6-10-17-25)18-12-11-13-23-19-21-26(30)22-20-23/h5-10,14-17,19-22,27,30H,11-13,18H2,1-4H3
InChIKeyZYEVKOFAGLGQMP-UHFFFAOYSA-N
XLogP7.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.61
LogP ≤ 57.68
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-[4-methyl-4-phenyl-3-(2-phenylpropan-2-yl)pentyl]phenol
CID 66867219
4-(5,5-diphenylpentyl)phenol
CID 66865945
4-nonylphenol;4-(2-phenylpropan-2-yl)phenol
CID 19993999
2-[4-methyl-4-phenyl-3-(2-phenylpropan-2-yl)pentyl]phenol
CID 66867217
4-(4-methylpentyl)phenol;phenol
CID 174866001
1-[3-(4-hydroxyphenyl)propyl]-3-(3-methyl-3-phenylbutan-2-yl)urea
CID 86973264
4-[11-(4-hydroxyphenyl)undecyl]phenol
CID 23191182
4-(4-methyl-5-phenylpentyl)phenol
CID 158681288
4-[2-(4-pentylphenyl)propan-2-yl]phenol
CID 174631363
4-(4,4-dimethylpentyl)phenol
CID 20692467
7-[4-(4-hydroxyphenyl)phenyl]heptan-2-yl benzoate
CID 139657190
3-hydroxy-N-[3-(4-hydroxyphenyl)propyl]-3-phenylbutanamide
CID 110025454

Frequently Asked Questions

What is the IUPAC name of 4-[6-methyl-6-phenyl-5-(2-phenylpropan-2-yl)heptyl]phenol?
The IUPAC name of 4-[6-methyl-6-phenyl-5-(2-phenylpropan-2-yl)heptyl]phenol (CID 66866176) is 4-[6-methyl-6-phenyl-5-(2-phenylpropan-2-yl)heptyl]phenol.
What is the SMILES notation for 4-[6-methyl-6-phenyl-5-(2-phenylpropan-2-yl)heptyl]phenol?
The canonical SMILES for 4-[6-methyl-6-phenyl-5-(2-phenylpropan-2-yl)heptyl]phenol is CC(C)(c1ccccc1)C(CCCCc1ccc(O)cc1)C(C)(C)c1ccccc1.
What is the InChIKey of 4-[6-methyl-6-phenyl-5-(2-phenylpropan-2-yl)heptyl]phenol?
The InChIKey is ZYEVKOFAGLGQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36O/c1-28(2,24-14-7-5-8-15-24)27(29(3,4)25-16-9-6-10-17-25)18-12-11-13-23-19-21-26(30)22-20-23/h5-10,14-17,19-22,27,30H,11-13,18H2,1-4H3.
What are the key properties of 4-[6-methyl-6-phenyl-5-(2-phenylpropan-2-yl)heptyl]phenol?
4-[6-methyl-6-phenyl-5-(2-phenylpropan-2-yl)heptyl]phenol has a molecular weight of 400.61 g/mol, XLogP of 7.68, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-methyl-6-phenyl-5-(2-phenylpropan-2-yl)heptyl]phenol is sourced from PubChem (CID 66866176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).