4,5,10-trihydroxy-9-methoxy-2-methylbenzo[b]fluoren-11-one

C19H14O5 — CID 10245554

IUPAC4,5,10-trihydroxy-9-methoxy-2-methylbenzo[b]fluoren-11-one
SMILESCOc1cccc2c(O)c3c(c(O)c12)C(=O)c1cc(C)cc(O)c1-3
InChIInChI=1S/C19H14O5/c1-8-6-10-13(11(20)7-8)15-16(18(10)22)19(23)14-9(17(15)21)4-3-5-12(14)24-2/h3-7,20-21,23H,1-2H3
InChIKeyLRSIBJHMUMKLSU-UHFFFAOYSA-N
MW322.32 g/mol
LogP3.49
Rot. Bonds1

About 4,5,10-trihydroxy-9-methoxy-2-methylbenzo[b]fluoren-11-one

4,5,10-trihydroxy-9-methoxy-2-methylbenzo[b]fluoren-11-one (PubChem CID 10245554) has the molecular formula C19H14O5 and a molecular weight of 322.32 g/mol. Its IUPAC name is 4,5,10-trihydroxy-9-methoxy-2-methylbenzo[b]fluoren-11-one.

Molecular Properties

Compound Name4,5,10-trihydroxy-9-methoxy-2-methylbenzo[b]fluoren-11-one
PubChem CID10245554
Molecular FormulaC19H14O5
Molecular Weight322.32 g/mol
Exact Mass322.08
IUPAC Name4,5,10-trihydroxy-9-methoxy-2-methylbenzo[b]fluoren-11-one
SMILESCOc1cccc2c(O)c3c(c(O)c12)C(=O)c1cc(C)cc(O)c1-3
InChIInChI=1S/C19H14O5/c1-8-6-10-13(11(20)7-8)15-16(18(10)22)19(23)14-9(17(15)21)4-3-5-12(14)24-2/h3-7,20-21,23H,1-2H3
InChIKeyLRSIBJHMUMKLSU-UHFFFAOYSA-N
XLogP3.49
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5,10-trihydroxy-9-methoxy-2-methylbenzo[b]fluoren-11-one?
The IUPAC name of 4,5,10-trihydroxy-9-methoxy-2-methylbenzo[b]fluoren-11-one (CID 10245554) is 4,5,10-trihydroxy-9-methoxy-2-methylbenzo[b]fluoren-11-one.
What is the SMILES notation for 4,5,10-trihydroxy-9-methoxy-2-methylbenzo[b]fluoren-11-one?
The canonical SMILES for 4,5,10-trihydroxy-9-methoxy-2-methylbenzo[b]fluoren-11-one is COc1cccc2c(O)c3c(c(O)c12)C(=O)c1cc(C)cc(O)c1-3.
What is the InChIKey of 4,5,10-trihydroxy-9-methoxy-2-methylbenzo[b]fluoren-11-one?
The InChIKey is LRSIBJHMUMKLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O5/c1-8-6-10-13(11(20)7-8)15-16(18(10)22)19(23)14-9(17(15)21)4-3-5-12(14)24-2/h3-7,20-21,23H,1-2H3.
What are the key properties of 4,5,10-trihydroxy-9-methoxy-2-methylbenzo[b]fluoren-11-one?
4,5,10-trihydroxy-9-methoxy-2-methylbenzo[b]fluoren-11-one has a molecular weight of 322.32 g/mol, XLogP of 3.49, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,10-trihydroxy-9-methoxy-2-methylbenzo[b]fluoren-11-one is sourced from PubChem (CID 10245554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).