(E)-3-(3-chlorophenyl)-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one

C19H13ClO2 — CID 15556476

IUPAC(E)-3-(3-chlorophenyl)-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1cccc(Cl)c1)c1ccc2ccccc2c1O
InChIInChI=1S/C19H13ClO2/c20-15-6-3-4-13(12-15)8-11-18(21)17-10-9-14-5-1-2-7-16(14)19(17)22/h1-12,22H/b11-8+
InChIKeyZPHAVIPIXGHVRH-DHZHZOJOSA-N
MW308.76 g/mol
LogP5.09
Rot. Bonds3

About (E)-3-(3-chlorophenyl)-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one

(E)-3-(3-chlorophenyl)-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one (PubChem CID 15556476) has the molecular formula C19H13ClO2 and a molecular weight of 308.76 g/mol. Its IUPAC name is (E)-3-(3-chlorophenyl)-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(3-chlorophenyl)-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one
PubChem CID15556476
Molecular FormulaC19H13ClO2
Molecular Weight308.76 g/mol
Exact Mass308.06
IUPAC Name(E)-3-(3-chlorophenyl)-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1cccc(Cl)c1)c1ccc2ccccc2c1O
InChIInChI=1S/C19H13ClO2/c20-15-6-3-4-13(12-15)8-11-18(21)17-10-9-14-5-1-2-7-16(14)19(17)22/h1-12,22H/b11-8+
InChIKeyZPHAVIPIXGHVRH-DHZHZOJOSA-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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Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-chlorophenyl)-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-(3-chlorophenyl)-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one (CID 15556476) is (E)-3-(3-chlorophenyl)-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(3-chlorophenyl)-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(3-chlorophenyl)-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one is O=C(/C=C/c1cccc(Cl)c1)c1ccc2ccccc2c1O.
What is the InChIKey of (E)-3-(3-chlorophenyl)-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one?
The InChIKey is ZPHAVIPIXGHVRH-DHZHZOJOSA-N. The full InChI is InChI=1S/C19H13ClO2/c20-15-6-3-4-13(12-15)8-11-18(21)17-10-9-14-5-1-2-7-16(14)19(17)22/h1-12,22H/b11-8+.
What are the key properties of (E)-3-(3-chlorophenyl)-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one?
(E)-3-(3-chlorophenyl)-1-(1-hydroxynaphthalen-2-yl)prop-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-chlorophenyl)-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one is sourced from PubChem (CID 15556476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).