2-(3-butyl-4-phenylphenyl)phenol

C22H22O — CID 174552804

IUPAC2-(3-butyl-4-phenylphenyl)phenol
SMILESCCCCc1cc(-c2ccccc2O)ccc1-c1ccccc1
InChIInChI=1S/C22H22O/c1-2-3-9-18-16-19(21-12-7-8-13-22(21)23)14-15-20(18)17-10-5-4-6-11-17/h4-8,10-16,23H,2-3,9H2,1H3
InChIKeyDFGHPVLMXACDGH-UHFFFAOYSA-N
MW302.42 g/mol
LogP6.07
Rot. Bonds5

About 2-(3-butyl-4-phenylphenyl)phenol

2-(3-butyl-4-phenylphenyl)phenol (PubChem CID 174552804) has the molecular formula C22H22O and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-(3-butyl-4-phenylphenyl)phenol.

Molecular Properties

Compound Name2-(3-butyl-4-phenylphenyl)phenol
PubChem CID174552804
Molecular FormulaC22H22O
Molecular Weight302.42 g/mol
Exact Mass302.17
IUPAC Name2-(3-butyl-4-phenylphenyl)phenol
SMILESCCCCc1cc(-c2ccccc2O)ccc1-c1ccccc1
InChIInChI=1S/C22H22O/c1-2-3-9-18-16-19(21-12-7-8-13-22(21)23)14-15-20(18)17-10-5-4-6-11-17/h4-8,10-16,23H,2-3,9H2,1H3
InChIKeyDFGHPVLMXACDGH-UHFFFAOYSA-N
XLogP6.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.42
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-butyl-2-phenylbenzene;chlorosilane
CID 157433440
1-butyl-2-phenylbenzene;dihydroxy(oxo)phosphanium
CID 174532098
1,1'-biphenyl;ethanol;2-phenylphenol
CID 90025475
2-butyl-6-phenylbenzene-1,4-diol
CID 23109144
1,4-dibutyl-2-ethyl-5-(2-phenylphenyl)benzene
CID 174571021
gold;1-pentyl-2-phenylbenzene
CID 174945702
1-butyl-2-(4-methylphenyl)benzene
CID 58626581
2-(3-butyl-4-phenylphenyl)-6-(trifluoromethyl)naphthalene
CID 157489638
3-dodecyl-4-phenylbenzoic acid
CID 19933758
3-butyl-2-methyl-4-phenylphenol
CID 68552702
5-butoxy-2-phenylphenol
CID 70451587
1,2-dibutyl-3,5-diphenylbenzene
CID 174699980

Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-4-phenylphenyl)phenol?
The IUPAC name of 2-(3-butyl-4-phenylphenyl)phenol (CID 174552804) is 2-(3-butyl-4-phenylphenyl)phenol.
What is the SMILES notation for 2-(3-butyl-4-phenylphenyl)phenol?
The canonical SMILES for 2-(3-butyl-4-phenylphenyl)phenol is CCCCc1cc(-c2ccccc2O)ccc1-c1ccccc1.
What is the InChIKey of 2-(3-butyl-4-phenylphenyl)phenol?
The InChIKey is DFGHPVLMXACDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O/c1-2-3-9-18-16-19(21-12-7-8-13-22(21)23)14-15-20(18)17-10-5-4-6-11-17/h4-8,10-16,23H,2-3,9H2,1H3.
What are the key properties of 2-(3-butyl-4-phenylphenyl)phenol?
2-(3-butyl-4-phenylphenyl)phenol has a molecular weight of 302.42 g/mol, XLogP of 6.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-4-phenylphenyl)phenol is sourced from PubChem (CID 174552804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).