1-(5-chloro-2-hydroxyphenyl)-3-(2-methylphenyl)prop-2-en-1-one

C16H13ClO2 — CID 71821316

IUPAC1-(5-chloro-2-hydroxyphenyl)-3-(2-methylphenyl)prop-2-en-1-one
SMILESCc1ccccc1C=CC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C16H13ClO2/c1-11-4-2-3-5-12(11)6-8-15(18)14-10-13(17)7-9-16(14)19/h2-10,19H,1H3
InChIKeyPZVFIOMYGOGDRQ-UHFFFAOYSA-N
MW272.73 g/mol
LogP4.25
Rot. Bonds3

About 1-(5-chloro-2-hydroxyphenyl)-3-(2-methylphenyl)prop-2-en-1-one

1-(5-chloro-2-hydroxyphenyl)-3-(2-methylphenyl)prop-2-en-1-one (PubChem CID 71821316) has the molecular formula C16H13ClO2 and a molecular weight of 272.73 g/mol. Its IUPAC name is 1-(5-chloro-2-hydroxyphenyl)-3-(2-methylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(5-chloro-2-hydroxyphenyl)-3-(2-methylphenyl)prop-2-en-1-one
PubChem CID71821316
Molecular FormulaC16H13ClO2
Molecular Weight272.73 g/mol
Exact Mass272.06
IUPAC Name1-(5-chloro-2-hydroxyphenyl)-3-(2-methylphenyl)prop-2-en-1-one
SMILESCc1ccccc1C=CC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C16H13ClO2/c1-11-4-2-3-5-12(11)6-8-15(18)14-10-13(17)7-9-16(14)19/h2-10,19H,1H3
InChIKeyPZVFIOMYGOGDRQ-UHFFFAOYSA-N
XLogP4.25
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 54.25
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

1-(2,4-dichlorophenyl)-3-(2-methylphenyl)prop-2-en-1-one
CID 3633437
(E)-1-(5-chloro-2-hydroxyphenyl)-3-(2-sulfanylphenyl)prop-2-en-1-one
CID 101412445
1-(4-chlorophenyl)-3-(2-methylphenyl)prop-2-en-1-one
CID 5240637
(E)-1-(2-hydroxy-5-methylphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one
CID 13145088
(Z)-1-(5-chloro-2-hydroxyphenyl)-3-(4-chlorophenyl)prop-2-en-1-one
CID 92532750
(E)-1,3-bis(2-methylphenyl)prop-2-en-1-one;ethane
CID 91348083
(E)-3-(2-chlorophenyl)-1-(2,5-dichlorophenyl)prop-2-en-1-one
CID 7947559
(E)-3-(2-hydroxyphenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 164898916
(5-chloro-2-hydroxyphenyl)-(2-methylphenyl)methanone
CID 21463072
(E)-1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one
CID 7947579
(E)-1-(5-chloro-2-methylphenyl)-3-phenylprop-2-en-1-one
CID 146005953
(E)-3-(4-bromophenyl)-1-(5-chloro-2-hydroxyphenyl)prop-2-en-1-one
CID 75539269

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-hydroxyphenyl)-3-(2-methylphenyl)prop-2-en-1-one?
The IUPAC name of 1-(5-chloro-2-hydroxyphenyl)-3-(2-methylphenyl)prop-2-en-1-one (CID 71821316) is 1-(5-chloro-2-hydroxyphenyl)-3-(2-methylphenyl)prop-2-en-1-one.
What is the SMILES notation for 1-(5-chloro-2-hydroxyphenyl)-3-(2-methylphenyl)prop-2-en-1-one?
The canonical SMILES for 1-(5-chloro-2-hydroxyphenyl)-3-(2-methylphenyl)prop-2-en-1-one is Cc1ccccc1C=CC(=O)c1cc(Cl)ccc1O.
What is the InChIKey of 1-(5-chloro-2-hydroxyphenyl)-3-(2-methylphenyl)prop-2-en-1-one?
The InChIKey is PZVFIOMYGOGDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClO2/c1-11-4-2-3-5-12(11)6-8-15(18)14-10-13(17)7-9-16(14)19/h2-10,19H,1H3.
What are the key properties of 1-(5-chloro-2-hydroxyphenyl)-3-(2-methylphenyl)prop-2-en-1-one?
1-(5-chloro-2-hydroxyphenyl)-3-(2-methylphenyl)prop-2-en-1-one has a molecular weight of 272.73 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-hydroxyphenyl)-3-(2-methylphenyl)prop-2-en-1-one is sourced from PubChem (CID 71821316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).