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

C15H11ClO5 — CID 169195853

IUPAC2-(2-chloro-4-hydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2ccc(O)cc2Cl)Oc2cc(O)cc(O)c21
InChIInChI=1S/C15H11ClO5/c16-10-3-7(17)1-2-9(10)13-6-12(20)15-11(19)4-8(18)5-14(15)21-13/h1-5,13,17-19H,6H2
InChIKeyBXJMKSKTVQFLCZ-UHFFFAOYSA-N
MW306.70 g/mol
LogP3.16
Rot. Bonds1

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

2-(2-chloro-4-hydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one (PubChem CID 169195853) has the molecular formula C15H11ClO5 and a molecular weight of 306.70 g/mol. Its IUPAC name is 2-(2-chloro-4-hydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-(2-chloro-4-hydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
PubChem CID169195853
Molecular FormulaC15H11ClO5
Molecular Weight306.70 g/mol
Exact Mass306.03
IUPAC Name2-(2-chloro-4-hydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2ccc(O)cc2Cl)Oc2cc(O)cc(O)c21
InChIInChI=1S/C15H11ClO5/c16-10-3-7(17)1-2-9(10)13-6-12(20)15-11(19)4-8(18)5-14(15)21-13/h1-5,13,17-19H,6H2
InChIKeyBXJMKSKTVQFLCZ-UHFFFAOYSA-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

(2S)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
CID 10356745
2-(3,5-dichloro-4-hydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
CID 169195842
5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 932
2-(3,5-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
CID 11483087
5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;N,N-dimethylmethanamine
CID 174718034
2-(3,5-dichloro-4-hydroxyphenyl)-5-hydroxy-2,3-dihydrochromen-4-one
CID 171343097
(2R)-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one;ethane
CID 143810700
(2R)-5,7-dihydroxy-2-(3-hydroxy-5-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 163062623
2-(2,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-2,3-dihydrochromen-4-one
CID 162898919
potassium 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 46841773
(2R)-5,7-dihydroxy-2-(4-hydroxycyclohexa-1,3-dien-1-yl)-2,3-dihydrochromen-4-one
CID 163048664
4-(5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)cyclohexa-3,5-diene-1,2-dione
CID 101388790

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-hydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one?
The IUPAC name of 2-(2-chloro-4-hydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one (CID 169195853) is 2-(2-chloro-4-hydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-(2-chloro-4-hydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-(2-chloro-4-hydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one is O=C1CC(c2ccc(O)cc2Cl)Oc2cc(O)cc(O)c21.
What is the InChIKey of 2-(2-chloro-4-hydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one?
The InChIKey is BXJMKSKTVQFLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO5/c16-10-3-7(17)1-2-9(10)13-6-12(20)15-11(19)4-8(18)5-14(15)21-13/h1-5,13,17-19H,6H2.
What are the key properties of 2-(2-chloro-4-hydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one?
2-(2-chloro-4-hydroxyphenyl)-5,7-dihydroxy-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 2-(2-chloro-4-hydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one is sourced from PubChem (CID 169195853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).