1-[4-(4-hydroxyphenyl)phenyl]-4-phenylbutan-2-one

C22H20O2 — CID 71035018

IUPAC1-[4-(4-hydroxyphenyl)phenyl]-4-phenylbutan-2-one
SMILESO=C(CCc1ccccc1)Cc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C22H20O2/c23-21-14-11-20(12-15-21)19-9-6-18(7-10-19)16-22(24)13-8-17-4-2-1-3-5-17/h1-7,9-12,14-15,23H,8,13,16H2
InChIKeyRVWRNADONQGZMS-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.80
Rot. Bonds6

About 1-[4-(4-hydroxyphenyl)phenyl]-4-phenylbutan-2-one

1-[4-(4-hydroxyphenyl)phenyl]-4-phenylbutan-2-one (PubChem CID 71035018) has the molecular formula C22H20O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-[4-(4-hydroxyphenyl)phenyl]-4-phenylbutan-2-one.

Molecular Properties

Compound Name1-[4-(4-hydroxyphenyl)phenyl]-4-phenylbutan-2-one
PubChem CID71035018
Molecular FormulaC22H20O2
Molecular Weight316.40 g/mol
Exact Mass316.15
IUPAC Name1-[4-(4-hydroxyphenyl)phenyl]-4-phenylbutan-2-one
SMILESO=C(CCc1ccccc1)Cc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C22H20O2/c23-21-14-11-20(12-15-21)19-9-6-18(7-10-19)16-22(24)13-8-17-4-2-1-3-5-17/h1-7,9-12,14-15,23H,8,13,16H2
InChIKeyRVWRNADONQGZMS-UHFFFAOYSA-N
XLogP4.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(4-hydroxyphenyl)phenyl]propanoic acid
CID 822003
4-phenyl-1-[4-(trifluoromethyl)phenyl]butan-2-one
CID 62115398
1-[2-(4-hydroxyphenyl)ethylamino]-4-phenylbutan-2-one
CID 146238632
5-[4-(2-fluorophenyl)phenyl]-1-(4-hydroxyphenyl)pentan-2-one
CID 158114835
2-[4-(4-hydroxyphenyl)phenyl]-1-phenylethanone
CID 82541267
1-(4-phenylphenyl)pentan-3-one
CID 58444061
1,3-bis(4-hydroxyphenyl)propan-2-one
CID 159297209
benzyl 4-oxo-5-(4-phenylphenyl)pentanoate
CID 167054854
3-[4-(4-hydroxyphenyl)phenyl]propanoate
CID 6947121
4-(4-hydroxyphenyl)-3-oxobutanoic acid
CID 91396936
1-(3,5-dichloro-4-hydroxyphenyl)-4-phenylbutan-2-one
CID 58192631
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide
CID 11857553

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-hydroxyphenyl)phenyl]-4-phenylbutan-2-one?
The IUPAC name of 1-[4-(4-hydroxyphenyl)phenyl]-4-phenylbutan-2-one (CID 71035018) is 1-[4-(4-hydroxyphenyl)phenyl]-4-phenylbutan-2-one.
What is the SMILES notation for 1-[4-(4-hydroxyphenyl)phenyl]-4-phenylbutan-2-one?
The canonical SMILES for 1-[4-(4-hydroxyphenyl)phenyl]-4-phenylbutan-2-one is O=C(CCc1ccccc1)Cc1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of 1-[4-(4-hydroxyphenyl)phenyl]-4-phenylbutan-2-one?
The InChIKey is RVWRNADONQGZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O2/c23-21-14-11-20(12-15-21)19-9-6-18(7-10-19)16-22(24)13-8-17-4-2-1-3-5-17/h1-7,9-12,14-15,23H,8,13,16H2.
What are the key properties of 1-[4-(4-hydroxyphenyl)phenyl]-4-phenylbutan-2-one?
1-[4-(4-hydroxyphenyl)phenyl]-4-phenylbutan-2-one has a molecular weight of 316.40 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-hydroxyphenyl)phenyl]-4-phenylbutan-2-one is sourced from PubChem (CID 71035018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).