3-[4-(2-hydroxyphenyl)phenyl]-1-phenylprop-2-en-1-one

C21H16O2 — CID 174731066

IUPAC3-[4-(2-hydroxyphenyl)phenyl]-1-phenylprop-2-en-1-one
SMILESO=C(C=Cc1ccc(-c2ccccc2O)cc1)c1ccccc1
InChIInChI=1S/C21H16O2/c22-20(18-6-2-1-3-7-18)15-12-16-10-13-17(14-11-16)19-8-4-5-9-21(19)23/h1-15,23H
InChIKeyKPBQLAOLSMTNJX-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.96
Rot. Bonds4

About 3-[4-(2-hydroxyphenyl)phenyl]-1-phenylprop-2-en-1-one

3-[4-(2-hydroxyphenyl)phenyl]-1-phenylprop-2-en-1-one (PubChem CID 174731066) has the molecular formula C21H16O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-[4-(2-hydroxyphenyl)phenyl]-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name3-[4-(2-hydroxyphenyl)phenyl]-1-phenylprop-2-en-1-one
PubChem CID174731066
Molecular FormulaC21H16O2
Molecular Weight300.36 g/mol
Exact Mass300.12
IUPAC Name3-[4-(2-hydroxyphenyl)phenyl]-1-phenylprop-2-en-1-one
SMILESO=C(C=Cc1ccc(-c2ccccc2O)cc1)c1ccccc1
InChIInChI=1S/C21H16O2/c22-20(18-6-2-1-3-7-18)15-12-16-10-13-17(14-11-16)19-8-4-5-9-21(19)23/h1-15,23H
InChIKeyKPBQLAOLSMTNJX-UHFFFAOYSA-N
XLogP4.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[4-[(E)-2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]ethenyl]phenyl]-1-phenylprop-2-en-1-one
CID 102135410
1,3-bis(4-hydroxyphenyl)prop-2-en-1-one;3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one
CID 67873183
1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
4-(3-oxo-3-phenylprop-1-enyl)benzoic acid;hydrochloride
CID 70593745
(Z)-3-(4-chlorophenyl)-1-phenylprop-2-en-1-one
CID 7292267
1,3-diphenylprop-2-en-1-one;ethanol
CID 146424659
(Z)-3-(4-methylphenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 12643319
3-(4-fluorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 4672651
dihydroxy(oxo)phosphanium;(E)-1,3-diphenylprop-2-en-1-one
CID 174799278
3-[4-(2-hydroxyethoxy)phenyl]-1-phenylprop-2-en-1-one
CID 50742117
(E)-3-(4-phenoxyphenyl)-1-phenylprop-2-en-1-one
CID 6440216

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxyphenyl)phenyl]-1-phenylprop-2-en-1-one?
The IUPAC name of 3-[4-(2-hydroxyphenyl)phenyl]-1-phenylprop-2-en-1-one (CID 174731066) is 3-[4-(2-hydroxyphenyl)phenyl]-1-phenylprop-2-en-1-one.
What is the SMILES notation for 3-[4-(2-hydroxyphenyl)phenyl]-1-phenylprop-2-en-1-one?
The canonical SMILES for 3-[4-(2-hydroxyphenyl)phenyl]-1-phenylprop-2-en-1-one is O=C(C=Cc1ccc(-c2ccccc2O)cc1)c1ccccc1.
What is the InChIKey of 3-[4-(2-hydroxyphenyl)phenyl]-1-phenylprop-2-en-1-one?
The InChIKey is KPBQLAOLSMTNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O2/c22-20(18-6-2-1-3-7-18)15-12-16-10-13-17(14-11-16)19-8-4-5-9-21(19)23/h1-15,23H.
What are the key properties of 3-[4-(2-hydroxyphenyl)phenyl]-1-phenylprop-2-en-1-one?
3-[4-(2-hydroxyphenyl)phenyl]-1-phenylprop-2-en-1-one has a molecular weight of 300.36 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxyphenyl)phenyl]-1-phenylprop-2-en-1-one is sourced from PubChem (CID 174731066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).