7-chloro-2-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one

C22H17ClO4 — CID 10786053

IUPAC7-chloro-2-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
SMILESCOc1ccc(C2C(=O)c3ccc(Cl)cc3OC2c2ccc(O)cc2)cc1
InChIInChI=1S/C22H17ClO4/c1-26-17-9-4-13(5-10-17)20-21(25)18-11-6-15(23)12-19(18)27-22(20)14-2-7-16(24)8-3-14/h2-12,20,22,24H,1H3
InChIKeyBSEQUZFQAONMQX-UHFFFAOYSA-N
MW380.83 g/mol
LogP5.15
Rot. Bonds3

About 7-chloro-2-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one

7-chloro-2-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one (PubChem CID 10786053) has the molecular formula C22H17ClO4 and a molecular weight of 380.83 g/mol. Its IUPAC name is 7-chloro-2-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name7-chloro-2-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
PubChem CID10786053
Molecular FormulaC22H17ClO4
Molecular Weight380.83 g/mol
Exact Mass380.08
IUPAC Name7-chloro-2-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
SMILESCOc1ccc(C2C(=O)c3ccc(Cl)cc3OC2c2ccc(O)cc2)cc1
InChIInChI=1S/C22H17ClO4/c1-26-17-9-4-13(5-10-17)20-21(25)18-11-6-15(23)12-19(18)27-22(20)14-2-7-16(24)8-3-14/h2-12,20,22,24H,1H3
InChIKeyBSEQUZFQAONMQX-UHFFFAOYSA-N
XLogP5.15
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.83
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-chloro-2-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3R)-3-[(2R,3R)-5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 124870899
[(2R,3R)-7-methoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl] acetate
CID 14539349
(2R,3R)-2-(4-chlorophenyl)-3-phenyl-2,3-dihydrochromen-4-one
CID 25171057
5,7-dihydroxy-2-(4-methoxyphenyl)-3-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-yl]-2,3-dihydrochromen-4-one
CID 45360287
(3R)-3-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 139082569
3-(4-fluorophenyl)-7-iodophosphanyloxy-2-(4-methylphenyl)-2,3-dihydrochromen-4-one
CID 129160534
(2S,3R)-3,5,7-trihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 162915885
(2R,3R)-3-hydroxy-2-(4-hydroxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
CID 10403456
(2S,3S)-3-hydroxy-2-(4-hydroxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
CID 154496184
5-hydroxy-2-(4-methoxyphenyl)indene-1,3-dione
CID 22600577
(2S,3S)-3-amino-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 94052387
2-(4-methoxyphenyl)-3-methyl-3,4-dihydro-2H-chromene-4,6-diol
CID 154345810

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 7-chloro-2-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one (CID 10786053) is 7-chloro-2-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 7-chloro-2-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 7-chloro-2-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one is COc1ccc(C2C(=O)c3ccc(Cl)cc3OC2c2ccc(O)cc2)cc1.
What is the InChIKey of 7-chloro-2-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one?
The InChIKey is BSEQUZFQAONMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClO4/c1-26-17-9-4-13(5-10-17)20-21(25)18-11-6-15(23)12-19(18)27-22(20)14-2-7-16(24)8-3-14/h2-12,20,22,24H,1H3.
What are the key properties of 7-chloro-2-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one?
7-chloro-2-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one has a molecular weight of 380.83 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 10786053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).