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

C19H14O5 — CID 141413725

IUPAC4,5,10-trihydroxy-9-methoxy-2-methylbenzo[a]fluoren-11-one
SMILESCOc1ccc2c(c1O)C(=O)c1c-2cc(O)c2c(O)cc(C)cc12
InChIInChI=1S/C19H14O5/c1-8-5-11-15-10(7-13(21)16(11)12(20)6-8)9-3-4-14(24-2)18(22)17(9)19(15)23/h3-7,20-22H,1-2H3
InChIKeyDFZJNDZJPUWKLJ-UHFFFAOYSA-N
MW322.32 g/mol
LogP3.49
Rot. Bonds1

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

4,5,10-trihydroxy-9-methoxy-2-methylbenzo[a]fluoren-11-one (PubChem CID 141413725) 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[a]fluoren-11-one.

Molecular Properties

Compound Name4,5,10-trihydroxy-9-methoxy-2-methylbenzo[a]fluoren-11-one
PubChem CID141413725
Molecular FormulaC19H14O5
Molecular Weight322.32 g/mol
Exact Mass322.08
IUPAC Name4,5,10-trihydroxy-9-methoxy-2-methylbenzo[a]fluoren-11-one
SMILESCOc1ccc2c(c1O)C(=O)c1c-2cc(O)c2c(O)cc(C)cc12
InChIInChI=1S/C19H14O5/c1-8-5-11-15-10(7-13(21)16(11)12(20)6-8)9-3-4-14(24-2)18(22)17(9)19(15)23/h3-7,20-22H,1-2H3
InChIKeyDFZJNDZJPUWKLJ-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

Analyze 4,5,10-trihydroxy-9-methoxy-2-methylbenzo[a]fluoren-11-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,8-dihydroxy-1,7-dimethoxy-3-methylanthracene-9,10-dione
CID 122196300
1-hydroxy-8-methoxy-11-(methoxymethoxy)-3-methylbenzo[a]anthracene-7,12-dione
CID 11749261
1,3,8-trihydroxy-2-methoxy-7-methylanthracene-9,10-dione
CID 25203826
9-[(2R,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]-1,8-dihydroxy-5-methoxy-3-methylbenzo[a]anthracene-7,12-dione
CID 139590638
9-hydroxy-5,8-dimethoxyphenanthrene-1,4-dione
CID 23251757
5,8-dimethoxy-2-(2,4,6-trimethylphenyl)naphthalen-1-ol
CID 11666936
4-hydroxy-5-methoxy-2-benzofuran-1,3-dione
CID 54295752
7-hydroxy-2-methoxy-1,6-dimethylanthracene-9,10-dione
CID 156783023
1,4-dihydroxy-5,8-dimethoxyanthracene-9,10-dione
CID 21437455
11-hydroxy-1,10-dimethoxy-8-methyltetracene-5,12-dione
CID 10066319
5-methoxy-7-methylnaphthalene-1,4-diol
CID 10608250
2-(1-hydroxy-4,5-dimethoxy-7-methylnaphthalen-2-yl)-4,5-dimethoxy-7-methylnaphthalen-1-ol
CID 101353677

Frequently Asked Questions

What is the IUPAC name of 4,5,10-trihydroxy-9-methoxy-2-methylbenzo[a]fluoren-11-one?
The IUPAC name of 4,5,10-trihydroxy-9-methoxy-2-methylbenzo[a]fluoren-11-one (CID 141413725) is 4,5,10-trihydroxy-9-methoxy-2-methylbenzo[a]fluoren-11-one.
What is the SMILES notation for 4,5,10-trihydroxy-9-methoxy-2-methylbenzo[a]fluoren-11-one?
The canonical SMILES for 4,5,10-trihydroxy-9-methoxy-2-methylbenzo[a]fluoren-11-one is COc1ccc2c(c1O)C(=O)c1c-2cc(O)c2c(O)cc(C)cc12.
What is the InChIKey of 4,5,10-trihydroxy-9-methoxy-2-methylbenzo[a]fluoren-11-one?
The InChIKey is DFZJNDZJPUWKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O5/c1-8-5-11-15-10(7-13(21)16(11)12(20)6-8)9-3-4-14(24-2)18(22)17(9)19(15)23/h3-7,20-22H,1-2H3.
What are the key properties of 4,5,10-trihydroxy-9-methoxy-2-methylbenzo[a]fluoren-11-one?
4,5,10-trihydroxy-9-methoxy-2-methylbenzo[a]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[a]fluoren-11-one is sourced from PubChem (CID 141413725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).