5-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-2-hydroxybenzaldehyde

C16H12O6 — CID 102127187

IUPAC5-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-2-hydroxybenzaldehyde
SMILESO=Cc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)ccc1O
InChIInChI=1S/C16H12O6/c17-7-9-3-8(1-2-11(9)19)14-6-13(21)16-12(20)4-10(18)5-15(16)22-14/h1-5,7,14,18-20H,6H2/t14-/m0/s1
InChIKeyDOFLNDASWRCTNW-AWEZNQCLSA-N
MW300.27 g/mol
LogP2.32
Rot. Bonds2

About 5-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-2-hydroxybenzaldehyde

5-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-2-hydroxybenzaldehyde (PubChem CID 102127187) has the molecular formula C16H12O6 and a molecular weight of 300.27 g/mol. Its IUPAC name is 5-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name5-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-2-hydroxybenzaldehyde
PubChem CID102127187
Molecular FormulaC16H12O6
Molecular Weight300.27 g/mol
Exact Mass300.06
IUPAC Name5-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-2-hydroxybenzaldehyde
SMILESO=Cc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)ccc1O
InChIInChI=1S/C16H12O6/c17-7-9-3-8(1-2-11(9)19)14-6-13(21)16-12(20)4-10(18)5-15(16)22-14/h1-5,7,14,18-20H,6H2/t14-/m0/s1
InChIKeyDOFLNDASWRCTNW-AWEZNQCLSA-N
XLogP2.32
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
potassium 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 46841773
(2R)-5,7-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one
CID 26250142
potassium;(2S)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one;hydride
CID 173056573
(2R)-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one;ethane
CID 143810700
2-(3,5-dichloro-4-hydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
CID 169195842
(2S)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
CID 10356745
2-(3,4-dihydroxyphenyl)-5-hydroxy-2,3-dihydrochromen-4-one
CID 53461819
[4-(5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)phenyl] benzoate
CID 169224026
(2R)-5,7-dihydroxy-2-(3-hydroxy-5-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 163062623

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-2-hydroxybenzaldehyde?
The IUPAC name of 5-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-2-hydroxybenzaldehyde (CID 102127187) is 5-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-2-hydroxybenzaldehyde.
What is the SMILES notation for 5-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-2-hydroxybenzaldehyde?
The canonical SMILES for 5-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-2-hydroxybenzaldehyde is O=Cc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)ccc1O.
What is the InChIKey of 5-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-2-hydroxybenzaldehyde?
The InChIKey is DOFLNDASWRCTNW-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H12O6/c17-7-9-3-8(1-2-11(9)19)14-6-13(21)16-12(20)4-10(18)5-15(16)22-14/h1-5,7,14,18-20H,6H2/t14-/m0/s1.
What are the key properties of 5-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-2-hydroxybenzaldehyde?
5-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-2-hydroxybenzaldehyde has a molecular weight of 300.27 g/mol, XLogP of 2.32, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-2-hydroxybenzaldehyde is sourced from PubChem (CID 102127187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).