3-(3-chlorophenyl)-1-(2-phenylmethoxyphenyl)prop-2-en-1-one

C22H17ClO2 — CID 2780937

IUPAC3-(3-chlorophenyl)-1-(2-phenylmethoxyphenyl)prop-2-en-1-one
SMILESO=C(C=Cc1cccc(Cl)c1)c1ccccc1OCc1ccccc1
InChIInChI=1S/C22H17ClO2/c23-19-10-6-9-17(15-19)13-14-21(24)20-11-4-5-12-22(20)25-16-18-7-2-1-3-8-18/h1-15H,16H2
InChIKeyCBESVJMWDYYCIO-UHFFFAOYSA-N
MW348.83 g/mol
LogP5.82
Rot. Bonds6

About 3-(3-chlorophenyl)-1-(2-phenylmethoxyphenyl)prop-2-en-1-one

3-(3-chlorophenyl)-1-(2-phenylmethoxyphenyl)prop-2-en-1-one (PubChem CID 2780937) has the molecular formula C22H17ClO2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-(2-phenylmethoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-(2-phenylmethoxyphenyl)prop-2-en-1-one
PubChem CID2780937
Molecular FormulaC22H17ClO2
Molecular Weight348.83 g/mol
Exact Mass348.09
IUPAC Name3-(3-chlorophenyl)-1-(2-phenylmethoxyphenyl)prop-2-en-1-one
SMILESO=C(C=Cc1cccc(Cl)c1)c1ccccc1OCc1ccccc1
InChIInChI=1S/C22H17ClO2/c23-19-10-6-9-17(15-19)13-14-21(24)20-11-4-5-12-22(20)25-16-18-7-2-1-3-8-18/h1-15H,16H2
InChIKeyCBESVJMWDYYCIO-UHFFFAOYSA-N
XLogP5.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.83
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-naphthalen-2-yl-1-(2-phenylmethoxyphenyl)prop-2-en-1-one
CID 563789
(E)-3-(4-ethylphenyl)-1-(2-phenylmethoxyphenyl)prop-2-en-1-one
CID 151856282
(E)-3-(3-chlorophenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 75359479
(E)-3-cyclopenta-1,3-dien-1-yl-1-(2-phenylmethoxyphenyl)prop-2-en-1-one
CID 6139864
(E)-1-(2-bromophenyl)-3-(3-phenylmethoxyphenyl)prop-2-en-1-one
CID 6153182
1-(2-hydroxyphenyl)-3-[3,4,5-tris(phenylmethoxy)phenyl]prop-2-en-1-one
CID 175537344
(E)-1-(2-hydroxyphenyl)-3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-en-1-one
CID 12681944
2-[(4-chlorophenyl)methoxy]benzoic acid
CID 2360737
3-[3-[(3-chlorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 20984640
(E)-3-[3-[(3-chlorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 42303981
2-[[3-[(2-carboxyphenoxy)methyl]phenyl]methoxy]benzoic acid
CID 71356398
3-[3-[(5-chloro-2-methylphenoxy)methyl]phenyl]prop-2-enoic acid
CID 77077082

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-(2-phenylmethoxyphenyl)prop-2-en-1-one?
The IUPAC name of 3-(3-chlorophenyl)-1-(2-phenylmethoxyphenyl)prop-2-en-1-one (CID 2780937) is 3-(3-chlorophenyl)-1-(2-phenylmethoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for 3-(3-chlorophenyl)-1-(2-phenylmethoxyphenyl)prop-2-en-1-one?
The canonical SMILES for 3-(3-chlorophenyl)-1-(2-phenylmethoxyphenyl)prop-2-en-1-one is O=C(C=Cc1cccc(Cl)c1)c1ccccc1OCc1ccccc1.
What is the InChIKey of 3-(3-chlorophenyl)-1-(2-phenylmethoxyphenyl)prop-2-en-1-one?
The InChIKey is CBESVJMWDYYCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClO2/c23-19-10-6-9-17(15-19)13-14-21(24)20-11-4-5-12-22(20)25-16-18-7-2-1-3-8-18/h1-15H,16H2.
What are the key properties of 3-(3-chlorophenyl)-1-(2-phenylmethoxyphenyl)prop-2-en-1-one?
3-(3-chlorophenyl)-1-(2-phenylmethoxyphenyl)prop-2-en-1-one has a molecular weight of 348.83 g/mol, XLogP of 5.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-(2-phenylmethoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 2780937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).