(E)-3-(3-chloro-4-hydroxyphenyl)-1-naphthalen-2-ylprop-2-en-1-one

C19H13ClO2 — CID 52771858

IUPAC(E)-3-(3-chloro-4-hydroxyphenyl)-1-naphthalen-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(O)c(Cl)c1)c1ccc2ccccc2c1
InChIInChI=1S/C19H13ClO2/c20-17-11-13(6-10-19(17)22)5-9-18(21)16-8-7-14-3-1-2-4-15(14)12-16/h1-12,22H/b9-5+
InChIKeyGLBICTBVCYDYFZ-WEVVVXLNSA-N
MW308.76 g/mol
LogP5.09
Rot. Bonds3

About (E)-3-(3-chloro-4-hydroxyphenyl)-1-naphthalen-2-ylprop-2-en-1-one

(E)-3-(3-chloro-4-hydroxyphenyl)-1-naphthalen-2-ylprop-2-en-1-one (PubChem CID 52771858) has the molecular formula C19H13ClO2 and a molecular weight of 308.76 g/mol. Its IUPAC name is (E)-3-(3-chloro-4-hydroxyphenyl)-1-naphthalen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(3-chloro-4-hydroxyphenyl)-1-naphthalen-2-ylprop-2-en-1-one
PubChem CID52771858
Molecular FormulaC19H13ClO2
Molecular Weight308.76 g/mol
Exact Mass308.06
IUPAC Name(E)-3-(3-chloro-4-hydroxyphenyl)-1-naphthalen-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(O)c(Cl)c1)c1ccc2ccccc2c1
InChIInChI=1S/C19H13ClO2/c20-17-11-13(6-10-19(17)22)5-9-18(21)16-8-7-14-3-1-2-4-15(14)12-16/h1-12,22H/b9-5+
InChIKeyGLBICTBVCYDYFZ-WEVVVXLNSA-N
XLogP5.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.76
LogP ≤ 55.09
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-naphthalen-2-yl-3-[4-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 10939059
(E)-3-(6-hydroxynaphthalen-2-yl)-1-naphthalen-2-ylprop-2-en-1-one
CID 89077412
1-naphthalen-2-yl-3-[3-(3-naphthalen-2-yl-3-oxoprop-1-enyl)phenyl]prop-2-en-1-one
CID 5009926
(Z)-1-naphthalen-2-yl-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 92908632
(E)-3-(3-chloro-4-hydroxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
CID 52771922
3-(3-chloro-4-hydroxyphenyl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one
CID 75268565
(E)-3-(3-chloro-4-hydroxyphenyl)-1-(4-propan-2-yloxyphenyl)prop-2-en-1-one
CID 52771941
(E)-3-(3-chloro-4-hydroxyphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 52771907
3-(3-chloro-4,5-dimethoxyphenyl)-1-naphthalen-2-ylprop-2-en-1-one
CID 5042284
3-(3-fluorophenyl)-1-naphthalen-2-ylprop-2-en-1-one
CID 3531094
(E)-1-naphthalen-2-yl-3-quinoxalin-6-ylprop-2-en-1-one
CID 176900312
(E)-3-[4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]phenyl]-1-naphthalen-2-ylprop-2-en-1-one
CID 19561137

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-chloro-4-hydroxyphenyl)-1-naphthalen-2-ylprop-2-en-1-one?
The IUPAC name of (E)-3-(3-chloro-4-hydroxyphenyl)-1-naphthalen-2-ylprop-2-en-1-one (CID 52771858) is (E)-3-(3-chloro-4-hydroxyphenyl)-1-naphthalen-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(3-chloro-4-hydroxyphenyl)-1-naphthalen-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-(3-chloro-4-hydroxyphenyl)-1-naphthalen-2-ylprop-2-en-1-one is O=C(/C=C/c1ccc(O)c(Cl)c1)c1ccc2ccccc2c1.
What is the InChIKey of (E)-3-(3-chloro-4-hydroxyphenyl)-1-naphthalen-2-ylprop-2-en-1-one?
The InChIKey is GLBICTBVCYDYFZ-WEVVVXLNSA-N. The full InChI is InChI=1S/C19H13ClO2/c20-17-11-13(6-10-19(17)22)5-9-18(21)16-8-7-14-3-1-2-4-15(14)12-16/h1-12,22H/b9-5+.
What are the key properties of (E)-3-(3-chloro-4-hydroxyphenyl)-1-naphthalen-2-ylprop-2-en-1-one?
(E)-3-(3-chloro-4-hydroxyphenyl)-1-naphthalen-2-ylprop-2-en-1-one has a molecular weight of 308.76 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-chloro-4-hydroxyphenyl)-1-naphthalen-2-ylprop-2-en-1-one is sourced from PubChem (CID 52771858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).