4-[5-(2-methyloctan-2-yl)-2-phenylphenyl]phenol

C27H32O — CID 174529240

IUPAC4-[5-(2-methyloctan-2-yl)-2-phenylphenyl]phenol
SMILESCCCCCCC(C)(C)c1ccc(-c2ccccc2)c(-c2ccc(O)cc2)c1
InChIInChI=1S/C27H32O/c1-4-5-6-10-19-27(2,3)23-15-18-25(21-11-8-7-9-12-21)26(20-23)22-13-16-24(28)17-14-22/h7-9,11-18,20,28H,4-6,10,19H2,1-3H3
InChIKeyFHUAQQJHPOQCNJ-UHFFFAOYSA-N
MW372.55 g/mol
LogP7.97
Rot. Bonds8

About 4-[5-(2-methyloctan-2-yl)-2-phenylphenyl]phenol

4-[5-(2-methyloctan-2-yl)-2-phenylphenyl]phenol (PubChem CID 174529240) has the molecular formula C27H32O and a molecular weight of 372.55 g/mol. Its IUPAC name is 4-[5-(2-methyloctan-2-yl)-2-phenylphenyl]phenol.

Molecular Properties

Compound Name4-[5-(2-methyloctan-2-yl)-2-phenylphenyl]phenol
PubChem CID174529240
Molecular FormulaC27H32O
Molecular Weight372.55 g/mol
Exact Mass372.25
IUPAC Name4-[5-(2-methyloctan-2-yl)-2-phenylphenyl]phenol
SMILESCCCCCCC(C)(C)c1ccc(-c2ccccc2)c(-c2ccc(O)cc2)c1
InChIInChI=1S/C27H32O/c1-4-5-6-10-19-27(2,3)23-15-18-25(21-11-8-7-9-12-21)26(20-23)22-13-16-24(28)17-14-22/h7-9,11-18,20,28H,4-6,10,19H2,1-3H3
InChIKeyFHUAQQJHPOQCNJ-UHFFFAOYSA-N
XLogP7.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.55
LogP ≤ 57.97
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

5-(2-methyloctan-2-yl)-2-pyridin-4-ylphenol
CID 135505763
4-(2-phenyloctan-2-yl)phenol
CID 174541966
5-(2-methyloctan-2-yl)-2-naphthalen-1-ylphenol
CID 70513024
acetaldehyde;4-(2-methylheptan-2-yl)phenol
CID 87674929
4-[1-(4-hydroxy-3-phenylphenyl)-1-(4-methylphenyl)hexyl]-2-phenylphenol
CID 57009241
4-(2-hydroxyheptan-2-yl)phenol
CID 83075318
5-(2-methylheptan-2-yl)benzene-1,3-diol
CID 12713057
2,5-bis(2-methylheptan-2-yl)phenol
CID 87703895
4-tert-butyl-1,2-diphenylbenzene;sulfane
CID 174786417
2-[2,5-bis(hydroxymethyl)phenyl]-5-(2-methyloctan-2-yl)phenol;methanol
CID 142867085
dodecane;phenol
CID 157210063
4-(2-hydroxy-1-phenylundecan-2-yl)phenol
CID 175286085

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-methyloctan-2-yl)-2-phenylphenyl]phenol?
The IUPAC name of 4-[5-(2-methyloctan-2-yl)-2-phenylphenyl]phenol (CID 174529240) is 4-[5-(2-methyloctan-2-yl)-2-phenylphenyl]phenol.
What is the SMILES notation for 4-[5-(2-methyloctan-2-yl)-2-phenylphenyl]phenol?
The canonical SMILES for 4-[5-(2-methyloctan-2-yl)-2-phenylphenyl]phenol is CCCCCCC(C)(C)c1ccc(-c2ccccc2)c(-c2ccc(O)cc2)c1.
What is the InChIKey of 4-[5-(2-methyloctan-2-yl)-2-phenylphenyl]phenol?
The InChIKey is FHUAQQJHPOQCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32O/c1-4-5-6-10-19-27(2,3)23-15-18-25(21-11-8-7-9-12-21)26(20-23)22-13-16-24(28)17-14-22/h7-9,11-18,20,28H,4-6,10,19H2,1-3H3.
What are the key properties of 4-[5-(2-methyloctan-2-yl)-2-phenylphenyl]phenol?
4-[5-(2-methyloctan-2-yl)-2-phenylphenyl]phenol has a molecular weight of 372.55 g/mol, XLogP of 7.97, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-methyloctan-2-yl)-2-phenylphenyl]phenol is sourced from PubChem (CID 174529240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).