(2R)-6-(2,4-dihydroxyphenyl)-2-(hydroxymethyl)-3,3-dimethyl-2H-furo[3,2-g]chromen-7-one

C20H18O6 — CID 162964938

IUPAC(2R)-6-(2,4-dihydroxyphenyl)-2-(hydroxymethyl)-3,3-dimethyl-2H-furo[3,2-g]chromen-7-one
SMILESCC1(C)c2cc3cc(-c4ccc(O)cc4O)c(=O)oc3cc2O[C@H]1CO
InChIInChI=1S/C20H18O6/c1-20(2)14-6-10-5-13(12-4-3-11(22)7-15(12)23)19(24)26-16(10)8-17(14)25-18(20)9-21/h3-8,18,21-23H,9H2,1-2H3/t18-/m0/s1
InChIKeyHHSWLOSLMYIVFG-SFHVURJKSA-N
MW354.36 g/mol
LogP2.90
Rot. Bonds2

About (2R)-6-(2,4-dihydroxyphenyl)-2-(hydroxymethyl)-3,3-dimethyl-2H-furo[3,2-g]chromen-7-one

(2R)-6-(2,4-dihydroxyphenyl)-2-(hydroxymethyl)-3,3-dimethyl-2H-furo[3,2-g]chromen-7-one (PubChem CID 162964938) has the molecular formula C20H18O6 and a molecular weight of 354.36 g/mol. Its IUPAC name is (2R)-6-(2,4-dihydroxyphenyl)-2-(hydroxymethyl)-3,3-dimethyl-2H-furo[3,2-g]chromen-7-one.

Molecular Properties

Compound Name(2R)-6-(2,4-dihydroxyphenyl)-2-(hydroxymethyl)-3,3-dimethyl-2H-furo[3,2-g]chromen-7-one
PubChem CID162964938
Molecular FormulaC20H18O6
Molecular Weight354.36 g/mol
Exact Mass354.11
IUPAC Name(2R)-6-(2,4-dihydroxyphenyl)-2-(hydroxymethyl)-3,3-dimethyl-2H-furo[3,2-g]chromen-7-one
SMILESCC1(C)c2cc3cc(-c4ccc(O)cc4O)c(=O)oc3cc2O[C@H]1CO
InChIInChI=1S/C20H18O6/c1-20(2)14-6-10-5-13(12-4-3-11(22)7-15(12)23)19(24)26-16(10)8-17(14)25-18(20)9-21/h3-8,18,21-23H,9H2,1-2H3/t18-/m0/s1
InChIKeyHHSWLOSLMYIVFG-SFHVURJKSA-N
XLogP2.90
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 15160990
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CID 127043399
3-(2,4-diethylphenyl)-7-hydroxychromen-2-one
CID 126606459
6-hydroxy-3-(4-methylphenyl)chromen-2-one
CID 56594088
3-[4-hydroxy-2-(trifluoromethyl)phenyl]-7-methylchromen-2-one;propan-2-one
CID 145263250
3-(2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-trien-6-yl)-6,7-dihydroxychromen-2-one
CID 139592645
4,5-dihydroxy-2-(6-hydroxy-2-oxochromen-3-yl)benzoic acid
CID 86288794
3-(2-hydroxyphenyl)-7-methylchromen-2-one
CID 164686833
3-(4-bromophenyl)-7-hydroxychromen-2-one
CID 5393163
3-[4-chloro-2-(trifluoromethyl)phenyl]-7-hydroxychromen-2-one
CID 148520275
7-hydroxy-3-(3-hydroxy-2,4-dimethoxyphenyl)chromen-2-one
CID 71722134
3-(2-hydroxyphenyl)chromen-2-one
CID 819892

Frequently Asked Questions

What is the IUPAC name of (2R)-6-(2,4-dihydroxyphenyl)-2-(hydroxymethyl)-3,3-dimethyl-2H-furo[3,2-g]chromen-7-one?
The IUPAC name of (2R)-6-(2,4-dihydroxyphenyl)-2-(hydroxymethyl)-3,3-dimethyl-2H-furo[3,2-g]chromen-7-one (CID 162964938) is (2R)-6-(2,4-dihydroxyphenyl)-2-(hydroxymethyl)-3,3-dimethyl-2H-furo[3,2-g]chromen-7-one.
What is the SMILES notation for (2R)-6-(2,4-dihydroxyphenyl)-2-(hydroxymethyl)-3,3-dimethyl-2H-furo[3,2-g]chromen-7-one?
The canonical SMILES for (2R)-6-(2,4-dihydroxyphenyl)-2-(hydroxymethyl)-3,3-dimethyl-2H-furo[3,2-g]chromen-7-one is CC1(C)c2cc3cc(-c4ccc(O)cc4O)c(=O)oc3cc2O[C@H]1CO.
What is the InChIKey of (2R)-6-(2,4-dihydroxyphenyl)-2-(hydroxymethyl)-3,3-dimethyl-2H-furo[3,2-g]chromen-7-one?
The InChIKey is HHSWLOSLMYIVFG-SFHVURJKSA-N. The full InChI is InChI=1S/C20H18O6/c1-20(2)14-6-10-5-13(12-4-3-11(22)7-15(12)23)19(24)26-16(10)8-17(14)25-18(20)9-21/h3-8,18,21-23H,9H2,1-2H3/t18-/m0/s1.
What are the key properties of (2R)-6-(2,4-dihydroxyphenyl)-2-(hydroxymethyl)-3,3-dimethyl-2H-furo[3,2-g]chromen-7-one?
(2R)-6-(2,4-dihydroxyphenyl)-2-(hydroxymethyl)-3,3-dimethyl-2H-furo[3,2-g]chromen-7-one has a molecular weight of 354.36 g/mol, XLogP of 2.90, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-(2,4-dihydroxyphenyl)-2-(hydroxymethyl)-3,3-dimethyl-2H-furo[3,2-g]chromen-7-one is sourced from PubChem (CID 162964938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).