(E)-3-(2-hydroxyphenyl)-1-(2-methylphenyl)prop-2-en-1-one

C16H14O2 — CID 164898916

IUPAC(E)-3-(2-hydroxyphenyl)-1-(2-methylphenyl)prop-2-en-1-one
SMILESCc1ccccc1C(=O)/C=C/c1ccccc1O
InChIInChI=1S/C16H14O2/c1-12-6-2-4-8-14(12)16(18)11-10-13-7-3-5-9-15(13)17/h2-11,17H,1H3/b11-10+
InChIKeyAQKNUOOAFWQEHC-ZHACJKMWSA-N
MW238.29 g/mol
LogP3.60
Rot. Bonds3

About (E)-3-(2-hydroxyphenyl)-1-(2-methylphenyl)prop-2-en-1-one

(E)-3-(2-hydroxyphenyl)-1-(2-methylphenyl)prop-2-en-1-one (PubChem CID 164898916) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is (E)-3-(2-hydroxyphenyl)-1-(2-methylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2-hydroxyphenyl)-1-(2-methylphenyl)prop-2-en-1-one
PubChem CID164898916
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name(E)-3-(2-hydroxyphenyl)-1-(2-methylphenyl)prop-2-en-1-one
SMILESCc1ccccc1C(=O)/C=C/c1ccccc1O
InChIInChI=1S/C16H14O2/c1-12-6-2-4-8-14(12)16(18)11-10-13-7-3-5-9-15(13)17/h2-11,17H,1H3/b11-10+
InChIKeyAQKNUOOAFWQEHC-ZHACJKMWSA-N
XLogP3.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.60
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)-1,3-bis(2-methylphenyl)prop-2-en-1-one;ethane
CID 91348083
(E)-1-(2-methylphenyl)-3-(2,4,5-trimethylphenyl)prop-2-en-1-one
CID 18292568
3-(2,3-dichlorophenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 4851047
(E)-1-(2-hydroxy-5-methylphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one
CID 13145088
(E)-3-(4-bromophenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 75359486
(E)-1-(2-methylphenyl)-3-[3-[(E)-3-(2-methylphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 58692940
2,4-dihydroxy-5-[(Z)-3-(2-hydroxyphenyl)prop-2-enoyl]benzoic acid
CID 96892114
(E)-1-(2-methylphenyl)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one
CID 9448324
1-(5-chloro-2-hydroxyphenyl)-3-(2-methylphenyl)prop-2-en-1-one
CID 71821316
(E)-4-(2-hydroxyphenyl)but-3-en-2-one
CID 5356585
(E)-3-(4-aminophenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 116605809
3-(4-chlorophenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 582919

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-hydroxyphenyl)-1-(2-methylphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(2-hydroxyphenyl)-1-(2-methylphenyl)prop-2-en-1-one (CID 164898916) is (E)-3-(2-hydroxyphenyl)-1-(2-methylphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(2-hydroxyphenyl)-1-(2-methylphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(2-hydroxyphenyl)-1-(2-methylphenyl)prop-2-en-1-one is Cc1ccccc1C(=O)/C=C/c1ccccc1O.
What is the InChIKey of (E)-3-(2-hydroxyphenyl)-1-(2-methylphenyl)prop-2-en-1-one?
The InChIKey is AQKNUOOAFWQEHC-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H14O2/c1-12-6-2-4-8-14(12)16(18)11-10-13-7-3-5-9-15(13)17/h2-11,17H,1H3/b11-10+.
What are the key properties of (E)-3-(2-hydroxyphenyl)-1-(2-methylphenyl)prop-2-en-1-one?
(E)-3-(2-hydroxyphenyl)-1-(2-methylphenyl)prop-2-en-1-one has a molecular weight of 238.29 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-hydroxyphenyl)-1-(2-methylphenyl)prop-2-en-1-one is sourced from PubChem (CID 164898916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).