(2R)-5,6-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one

C16H14O5 — CID 163019065

IUPAC(2R)-5,6-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
SMILESCOc1ccc([C@H]2CC(=O)c3c(ccc(O)c3O)O2)cc1
InChIInChI=1S/C16H14O5/c1-20-10-4-2-9(3-5-10)14-8-12(18)15-13(21-14)7-6-11(17)16(15)19/h2-7,14,17,19H,8H2,1H3/t14-/m1/s1
InChIKeyONKIXTJNUUWOHL-CQSZACIVSA-N
MW286.28 g/mol
LogP2.81
Rot. Bonds2

About (2R)-5,6-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one

(2R)-5,6-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one (PubChem CID 163019065) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is (2R)-5,6-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(2R)-5,6-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
PubChem CID163019065
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name(2R)-5,6-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
SMILESCOc1ccc([C@H]2CC(=O)c3c(ccc(O)c3O)O2)cc1
InChIInChI=1S/C16H14O5/c1-20-10-4-2-9(3-5-10)14-8-12(18)15-13(21-14)7-6-11(17)16(15)19/h2-7,14,17,19H,8H2,1H3/t14-/m1/s1
InChIKeyONKIXTJNUUWOHL-CQSZACIVSA-N
XLogP2.81
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-(4-methoxyphenyl)-2,3-dihydrobenzo[f]chromen-1-one
CID 102367587
(2R)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-methyl-2,3-dihydrochromen-4-one
CID 163064511
6-(3,7-dimethylocta-2,6-dienyl)-5,7-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 73085040
(2S)-5,6-dihydroxy-2-(2-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 102167618
5-hydroxy-4-(4-hydroxyphenyl)-8-(4-methoxyphenyl)-3,4,7,8-tetrahydropyrano[3,2-g]chromene-2,6-dione
CID 42607961
5-(4-methoxyphenyl)-2-propan-2-ylideneoxolan-3-one
CID 23250319
(2S,3S)-3-(2,4-dihydroxybenzoyl)-4-hydroxy-7-(4-hydroxyphenyl)-2-(4-methoxyphenyl)-2,3,6,7-tetrahydrofuro[3,2-g]chromen-5-one
CID 11731251
(2R,3S,7S)-3-(2,4-dihydroxybenzoyl)-4-hydroxy-7-(4-hydroxyphenyl)-2-(4-methoxyphenyl)-2,3,6,7-tetrahydrofuro[3,2-g]chromen-5-one
CID 162943549
5-(4-methoxyphenyl)-5,6-dihydrothieno[3,2-b]pyran-7-one
CID 13352399
(6-hydroxy-4-oxo-2-phenyl-2,3-dihydrochromen-5-yl) acetate
CID 86015386
5-hydroxy-7-methoxy-2-[4-(3-methylbut-2-enoxy)phenyl]-2,3-dihydrochromen-4-one
CID 42608070
8-(cyclopropylmethyl)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 175366050

Frequently Asked Questions

What is the IUPAC name of (2R)-5,6-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of (2R)-5,6-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one (CID 163019065) is (2R)-5,6-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for (2R)-5,6-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for (2R)-5,6-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one is COc1ccc([C@H]2CC(=O)c3c(ccc(O)c3O)O2)cc1.
What is the InChIKey of (2R)-5,6-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one?
The InChIKey is ONKIXTJNUUWOHL-CQSZACIVSA-N. The full InChI is InChI=1S/C16H14O5/c1-20-10-4-2-9(3-5-10)14-8-12(18)15-13(21-14)7-6-11(17)16(15)19/h2-7,14,17,19H,8H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-5,6-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one?
(2R)-5,6-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one has a molecular weight of 286.28 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5,6-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 163019065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).