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

C15H11ClO2S — CID 101412445

IUPAC(E)-1-(5-chloro-2-hydroxyphenyl)-3-(2-sulfanylphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1S)c1cc(Cl)ccc1O
InChIInChI=1S/C15H11ClO2S/c16-11-6-8-14(18)12(9-11)13(17)7-5-10-3-1-2-4-15(10)19/h1-9,18-19H/b7-5+
InChIKeyQOAHRUYKFNDWOQ-FNORWQNLSA-N
MW290.77 g/mol
LogP4.23
Rot. Bonds3

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

(E)-1-(5-chloro-2-hydroxyphenyl)-3-(2-sulfanylphenyl)prop-2-en-1-one (PubChem CID 101412445) has the molecular formula C15H11ClO2S and a molecular weight of 290.77 g/mol. Its IUPAC name is (E)-1-(5-chloro-2-hydroxyphenyl)-3-(2-sulfanylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(5-chloro-2-hydroxyphenyl)-3-(2-sulfanylphenyl)prop-2-en-1-one
PubChem CID101412445
Molecular FormulaC15H11ClO2S
Molecular Weight290.77 g/mol
Exact Mass290.02
IUPAC Name(E)-1-(5-chloro-2-hydroxyphenyl)-3-(2-sulfanylphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1S)c1cc(Cl)ccc1O
InChIInChI=1S/C15H11ClO2S/c16-11-6-8-14(18)12(9-11)13(17)7-5-10-3-1-2-4-15(10)19/h1-9,18-19H/b7-5+
InChIKeyQOAHRUYKFNDWOQ-FNORWQNLSA-N
XLogP4.23
TPSA37.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(5-chloro-2-hydroxyphenyl)-3-(2-methylphenyl)prop-2-en-1-one
CID 71821316
(Z)-1-(5-chloro-2-hydroxyphenyl)-3-(4-chlorophenyl)prop-2-en-1-one
CID 92532750
(E)-3-(2-chlorophenyl)-1-(2,5-dichlorophenyl)prop-2-en-1-one
CID 7947559
(E)-1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one
CID 7947579
(E)-3-(4-bromophenyl)-1-(5-chloro-2-hydroxyphenyl)prop-2-en-1-one
CID 75539269
3-(3-bromophenyl)-1-(5-chloro-2-hydroxyphenyl)prop-2-en-1-one
CID 71821318
(E)-1-(2-hydroxy-5-methylphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one
CID 13145088
(E)-3-(4-chloro-2-hydroxyphenyl)-1-(2,4-dihydroxyphenyl)prop-2-en-1-one
CID 175887439
(E)-1-(2,4-dichlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one
CID 19562946
3-(4-chlorophenyl)-1-(2,5-dihydroxyphenyl)prop-2-en-1-one
CID 54161094
1-(2,4-dichlorophenyl)-3-(2-methylphenyl)prop-2-en-1-one
CID 3633437
2,4-dihydroxy-5-[(Z)-3-(2-hydroxyphenyl)prop-2-enoyl]benzoic acid
CID 96892114

Frequently Asked Questions

What is the IUPAC name of (E)-1-(5-chloro-2-hydroxyphenyl)-3-(2-sulfanylphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(5-chloro-2-hydroxyphenyl)-3-(2-sulfanylphenyl)prop-2-en-1-one (CID 101412445) is (E)-1-(5-chloro-2-hydroxyphenyl)-3-(2-sulfanylphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(5-chloro-2-hydroxyphenyl)-3-(2-sulfanylphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(5-chloro-2-hydroxyphenyl)-3-(2-sulfanylphenyl)prop-2-en-1-one is O=C(/C=C/c1ccccc1S)c1cc(Cl)ccc1O.
What is the InChIKey of (E)-1-(5-chloro-2-hydroxyphenyl)-3-(2-sulfanylphenyl)prop-2-en-1-one?
The InChIKey is QOAHRUYKFNDWOQ-FNORWQNLSA-N. The full InChI is InChI=1S/C15H11ClO2S/c16-11-6-8-14(18)12(9-11)13(17)7-5-10-3-1-2-4-15(10)19/h1-9,18-19H/b7-5+.
What are the key properties of (E)-1-(5-chloro-2-hydroxyphenyl)-3-(2-sulfanylphenyl)prop-2-en-1-one?
(E)-1-(5-chloro-2-hydroxyphenyl)-3-(2-sulfanylphenyl)prop-2-en-1-one has a molecular weight of 290.77 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(5-chloro-2-hydroxyphenyl)-3-(2-sulfanylphenyl)prop-2-en-1-one is sourced from PubChem (CID 101412445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).