3-hydroxy-6b,10a-dihydro-[1]benzofuro[3,2-c]chromen-6-one

C15H10O4 — CID 89072166

IUPAC3-hydroxy-6b,10a-dihydro-[1]benzofuro[3,2-c]chromen-6-one
SMILESO=c1oc2cc(O)ccc2c2c1C1C=CC=CC1O2
InChIInChI=1S/C15H10O4/c16-8-5-6-10-12(7-8)19-15(17)13-9-3-1-2-4-11(9)18-14(10)13/h1-7,9,11,16H
InChIKeyRCBFTZZOOWGXJR-UHFFFAOYSA-N
MW254.24 g/mol
LogP2.47
Rot. Bonds

About 3-hydroxy-6b,10a-dihydro-[1]benzofuro[3,2-c]chromen-6-one

3-hydroxy-6b,10a-dihydro-[1]benzofuro[3,2-c]chromen-6-one (PubChem CID 89072166) has the molecular formula C15H10O4 and a molecular weight of 254.24 g/mol. Its IUPAC name is 3-hydroxy-6b,10a-dihydro-[1]benzofuro[3,2-c]chromen-6-one.

Molecular Properties

Compound Name3-hydroxy-6b,10a-dihydro-[1]benzofuro[3,2-c]chromen-6-one
PubChem CID89072166
Molecular FormulaC15H10O4
Molecular Weight254.24 g/mol
Exact Mass254.06
IUPAC Name3-hydroxy-6b,10a-dihydro-[1]benzofuro[3,2-c]chromen-6-one
SMILESO=c1oc2cc(O)ccc2c2c1C1C=CC=CC1O2
InChIInChI=1S/C15H10O4/c16-8-5-6-10-12(7-8)19-15(17)13-9-3-1-2-4-11(9)18-14(10)13/h1-7,9,11,16H
InChIKeyRCBFTZZOOWGXJR-UHFFFAOYSA-N
XLogP2.47
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,7-dihydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
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CID 153050234
CID 153050234
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CID 58676736
3-amino-4,7-dihydroxychromen-2-one
CID 54691343
9-(3,8-dihydroxy-6-oxobenzo[c]chromen-9-yl)-3,8-dihydroxybenzo[c]chromen-6-one
CID 11510769
4,7-dihydroxy-2-oxochromene-3-carbaldehyde
CID 137208579
7-hydroxy-3-(4-hydroxyphenyl)-4-methylchromen-2-one
CID 10221024
7-hydroxy-3-[(7-hydroxy-4-methyl-2-oxochromen-3-yl)methyl]-4-methylchromen-2-one
CID 10473941
3,7,8-trihydroxybenzo[c]chromen-6-one
CID 72793787
7-hydroxy-4-methyl-3-phosphanylchromen-2-one
CID 88515701
4,7-dihydroxy-2-oxochromene-3-carboxamide
CID 54698717
7-hydroxy-3,4-dinitrochromen-2-one
CID 87998789

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6b,10a-dihydro-[1]benzofuro[3,2-c]chromen-6-one?
The IUPAC name of 3-hydroxy-6b,10a-dihydro-[1]benzofuro[3,2-c]chromen-6-one (CID 89072166) is 3-hydroxy-6b,10a-dihydro-[1]benzofuro[3,2-c]chromen-6-one.
What is the SMILES notation for 3-hydroxy-6b,10a-dihydro-[1]benzofuro[3,2-c]chromen-6-one?
The canonical SMILES for 3-hydroxy-6b,10a-dihydro-[1]benzofuro[3,2-c]chromen-6-one is O=c1oc2cc(O)ccc2c2c1C1C=CC=CC1O2.
What is the InChIKey of 3-hydroxy-6b,10a-dihydro-[1]benzofuro[3,2-c]chromen-6-one?
The InChIKey is RCBFTZZOOWGXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O4/c16-8-5-6-10-12(7-8)19-15(17)13-9-3-1-2-4-11(9)18-14(10)13/h1-7,9,11,16H.
What are the key properties of 3-hydroxy-6b,10a-dihydro-[1]benzofuro[3,2-c]chromen-6-one?
3-hydroxy-6b,10a-dihydro-[1]benzofuro[3,2-c]chromen-6-one has a molecular weight of 254.24 g/mol, XLogP of 2.47, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6b,10a-dihydro-[1]benzofuro[3,2-c]chromen-6-one is sourced from PubChem (CID 89072166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).