(2S)-6-chloro-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

C15H11ClO5 — CID 101143545

IUPAC(2S)-6-chloro-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
SMILESO=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)c(Cl)c(O)c21
InChIInChI=1S/C15H11ClO5/c16-14-10(19)6-12-13(15(14)20)9(18)5-11(21-12)7-1-3-8(17)4-2-7/h1-4,6,11,17,19-20H,5H2/t11-/m0/s1
InChIKeyUVBNSQURPKULRJ-NSHDSACASA-N
MW306.70 g/mol
LogP3.16
Rot. Bonds1

About (2S)-6-chloro-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

(2S)-6-chloro-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one (PubChem CID 101143545) has the molecular formula C15H11ClO5 and a molecular weight of 306.70 g/mol. Its IUPAC name is (2S)-6-chloro-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(2S)-6-chloro-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
PubChem CID101143545
Molecular FormulaC15H11ClO5
Molecular Weight306.70 g/mol
Exact Mass306.03
IUPAC Name(2S)-6-chloro-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
SMILESO=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)c(Cl)c(O)c21
InChIInChI=1S/C15H11ClO5/c16-14-10(19)6-12-13(15(14)20)9(18)5-11(21-12)7-1-3-8(17)4-2-7/h1-4,6,11,17,19-20H,5H2/t11-/m0/s1
InChIKeyUVBNSQURPKULRJ-NSHDSACASA-N
XLogP3.16
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.70
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 932
6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl]-5,7-dihydroxy-2-(4-methylphenyl)-2,3-dihydrochromen-4-one
CID 75069473
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbutyl)-2,3-dihydrochromen-4-one
CID 142550277
5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;N,N-dimethylmethanamine
CID 174718034
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(morpholin-4-ylmethyl)-2,3-dihydrochromen-4-one
CID 134863979
7-ethyl-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 143737118
(4S,8R)-5-hydroxy-4,8-bis(4-hydroxyphenyl)-3,4,7,8-tetrahydropyrano[3,2-g]chromene-2,6-dione
CID 163019893
5,7-dihydroxy-6-[(2S,3R)-7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 10984228
2-(3,5-dichloro-4-hydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
CID 169195842
5,6,7-trihydroxy-2-thiophen-3-yl-2,3-dihydrochromen-4-one
CID 88874360
(2R)-7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one
CID 40577064
(2S)-6-[5-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 25212227

Frequently Asked Questions

What is the IUPAC name of (2S)-6-chloro-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of (2S)-6-chloro-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one (CID 101143545) is (2S)-6-chloro-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for (2S)-6-chloro-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for (2S)-6-chloro-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one is O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)c(Cl)c(O)c21.
What is the InChIKey of (2S)-6-chloro-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one?
The InChIKey is UVBNSQURPKULRJ-NSHDSACASA-N. The full InChI is InChI=1S/C15H11ClO5/c16-14-10(19)6-12-13(15(14)20)9(18)5-11(21-12)7-1-3-8(17)4-2-7/h1-4,6,11,17,19-20H,5H2/t11-/m0/s1.
What are the key properties of (2S)-6-chloro-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one?
(2S)-6-chloro-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one has a molecular weight of 306.70 g/mol, XLogP of 3.16, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-chloro-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 101143545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).