(2R)-5,7-dihydroxy-2-(4-hydroxycyclohexa-1,3-dien-1-yl)-2,3-dihydrochromen-4-one

C15H14O5 — CID 163048664

IUPAC(2R)-5,7-dihydroxy-2-(4-hydroxycyclohexa-1,3-dien-1-yl)-2,3-dihydrochromen-4-one
SMILESO=C1C[C@H](C2=CC=C(O)CC2)Oc2cc(O)cc(O)c21
InChIInChI=1S/C15H14O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1,3,5-6,13,16-18H,2,4,7H2/t13-/m1/s1
InChIKeyWGEYAGZBLYNDFV-CYBMUJFWSA-N
MW274.27 g/mol
LogP2.59
Rot. Bonds1

About (2R)-5,7-dihydroxy-2-(4-hydroxycyclohexa-1,3-dien-1-yl)-2,3-dihydrochromen-4-one

(2R)-5,7-dihydroxy-2-(4-hydroxycyclohexa-1,3-dien-1-yl)-2,3-dihydrochromen-4-one (PubChem CID 163048664) has the molecular formula C15H14O5 and a molecular weight of 274.27 g/mol. Its IUPAC name is (2R)-5,7-dihydroxy-2-(4-hydroxycyclohexa-1,3-dien-1-yl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(2R)-5,7-dihydroxy-2-(4-hydroxycyclohexa-1,3-dien-1-yl)-2,3-dihydrochromen-4-one
PubChem CID163048664
Molecular FormulaC15H14O5
Molecular Weight274.27 g/mol
Exact Mass274.08
IUPAC Name(2R)-5,7-dihydroxy-2-(4-hydroxycyclohexa-1,3-dien-1-yl)-2,3-dihydrochromen-4-one
SMILESO=C1C[C@H](C2=CC=C(O)CC2)Oc2cc(O)cc(O)c21
InChIInChI=1S/C15H14O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1,3,5-6,13,16-18H,2,4,7H2/t13-/m1/s1
InChIKeyWGEYAGZBLYNDFV-CYBMUJFWSA-N
XLogP2.59
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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
CID 932
(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;N,N-dimethylmethanamine
CID 174718034
(2R)-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one;ethane
CID 143810700
4-(5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)cyclohexa-3,5-diene-1,2-dione
CID 101388790
5,7-dihydroxy-2-methyl-2,3-dihydrochromen-4-one;phenol
CID 162376835
2-(2-chloro-4-hydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
CID 169195853
(2R)-5,7-dihydroxy-2-(3-hydroxy-5-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 163062623
2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
CID 118722266
5-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-2-hydroxybenzaldehyde
CID 102127187

Frequently Asked Questions

What is the IUPAC name of (2R)-5,7-dihydroxy-2-(4-hydroxycyclohexa-1,3-dien-1-yl)-2,3-dihydrochromen-4-one?
The IUPAC name of (2R)-5,7-dihydroxy-2-(4-hydroxycyclohexa-1,3-dien-1-yl)-2,3-dihydrochromen-4-one (CID 163048664) is (2R)-5,7-dihydroxy-2-(4-hydroxycyclohexa-1,3-dien-1-yl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for (2R)-5,7-dihydroxy-2-(4-hydroxycyclohexa-1,3-dien-1-yl)-2,3-dihydrochromen-4-one?
The canonical SMILES for (2R)-5,7-dihydroxy-2-(4-hydroxycyclohexa-1,3-dien-1-yl)-2,3-dihydrochromen-4-one is O=C1C[C@H](C2=CC=C(O)CC2)Oc2cc(O)cc(O)c21.
What is the InChIKey of (2R)-5,7-dihydroxy-2-(4-hydroxycyclohexa-1,3-dien-1-yl)-2,3-dihydrochromen-4-one?
The InChIKey is WGEYAGZBLYNDFV-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H14O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1,3,5-6,13,16-18H,2,4,7H2/t13-/m1/s1.
What are the key properties of (2R)-5,7-dihydroxy-2-(4-hydroxycyclohexa-1,3-dien-1-yl)-2,3-dihydrochromen-4-one?
(2R)-5,7-dihydroxy-2-(4-hydroxycyclohexa-1,3-dien-1-yl)-2,3-dihydrochromen-4-one has a molecular weight of 274.27 g/mol, XLogP of 2.59, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5,7-dihydroxy-2-(4-hydroxycyclohexa-1,3-dien-1-yl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 163048664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).