1-[9-(benzenesulfonyl)-4-hydroxy-6-methoxy-9H-fluoren-3-yl]ethanone

C22H18O5S — CID 102479883

IUPAC1-[9-(benzenesulfonyl)-4-hydroxy-6-methoxy-9H-fluoren-3-yl]ethanone
SMILESCOc1ccc2c(c1)-c1c(ccc(C(C)=O)c1O)C2S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H18O5S/c1-13(23)16-10-11-18-20(21(16)24)19-12-14(27-2)8-9-17(19)22(18)28(25,26)15-6-4-3-5-7-15/h3-12,22,24H,1-2H3
InChIKeyBIOQZQJLBPXJKA-UHFFFAOYSA-N
MW394.45 g/mol
LogP4.15
Rot. Bonds4

About 1-[9-(benzenesulfonyl)-4-hydroxy-6-methoxy-9H-fluoren-3-yl]ethanone

1-[9-(benzenesulfonyl)-4-hydroxy-6-methoxy-9H-fluoren-3-yl]ethanone (PubChem CID 102479883) has the molecular formula C22H18O5S and a molecular weight of 394.45 g/mol. Its IUPAC name is 1-[9-(benzenesulfonyl)-4-hydroxy-6-methoxy-9H-fluoren-3-yl]ethanone.

Molecular Properties

Compound Name1-[9-(benzenesulfonyl)-4-hydroxy-6-methoxy-9H-fluoren-3-yl]ethanone
PubChem CID102479883
Molecular FormulaC22H18O5S
Molecular Weight394.45 g/mol
Exact Mass394.09
IUPAC Name1-[9-(benzenesulfonyl)-4-hydroxy-6-methoxy-9H-fluoren-3-yl]ethanone
SMILESCOc1ccc2c(c1)-c1c(ccc(C(C)=O)c1O)C2S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H18O5S/c1-13(23)16-10-11-18-20(21(16)24)19-12-14(27-2)8-9-17(19)22(18)28(25,26)15-6-4-3-5-7-15/h3-12,22,24H,1-2H3
InChIKeyBIOQZQJLBPXJKA-UHFFFAOYSA-N
XLogP4.15
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[9-(benzenesulfonyl)-4-hydroxy-6-methoxy-9H-fluoren-3-yl]ethanone 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

9-(4-methoxyphenyl)sulfonyl-9H-fluorene
CID 11450528
2-(2-acetyl-5-methoxyphenyl)benzaldehyde
CID 42645680
1-[2-(4-hydroxy-3,5-dimethoxyphenyl)-4-methoxyphenyl]ethanone
CID 51039636
CID 172864174
CID 172864174
1-[2-(2-hydroxy-4-methoxybenzoyl)phenyl]ethanone
CID 96559735
2-(2-acetylphenyl)-4-methoxybenzaldehyde
CID 42645678
3-(benzenesulfonyl)-1,1-dihydroxy-5-methoxy-2,3-dihydro-1-benzothiophene
CID 70000074
[4-(benzenesulfonyl)piperidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 90589371
2-benzoyl-5-methoxybenzenesulfonoperoxoic acid
CID 23023842
CID 175499515
CID 175499515
1-[3-(2,5-dimethoxyphenyl)phenyl]ethanone
CID 21460495
1-(2-bromo-4-methoxyphenyl)ethanone;1-(2-bromo-4-phenylphenyl)ethanone
CID 70275745

Frequently Asked Questions

What is the IUPAC name of 1-[9-(benzenesulfonyl)-4-hydroxy-6-methoxy-9H-fluoren-3-yl]ethanone?
The IUPAC name of 1-[9-(benzenesulfonyl)-4-hydroxy-6-methoxy-9H-fluoren-3-yl]ethanone (CID 102479883) is 1-[9-(benzenesulfonyl)-4-hydroxy-6-methoxy-9H-fluoren-3-yl]ethanone.
What is the SMILES notation for 1-[9-(benzenesulfonyl)-4-hydroxy-6-methoxy-9H-fluoren-3-yl]ethanone?
The canonical SMILES for 1-[9-(benzenesulfonyl)-4-hydroxy-6-methoxy-9H-fluoren-3-yl]ethanone is COc1ccc2c(c1)-c1c(ccc(C(C)=O)c1O)C2S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-[9-(benzenesulfonyl)-4-hydroxy-6-methoxy-9H-fluoren-3-yl]ethanone?
The InChIKey is BIOQZQJLBPXJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O5S/c1-13(23)16-10-11-18-20(21(16)24)19-12-14(27-2)8-9-17(19)22(18)28(25,26)15-6-4-3-5-7-15/h3-12,22,24H,1-2H3.
What are the key properties of 1-[9-(benzenesulfonyl)-4-hydroxy-6-methoxy-9H-fluoren-3-yl]ethanone?
1-[9-(benzenesulfonyl)-4-hydroxy-6-methoxy-9H-fluoren-3-yl]ethanone has a molecular weight of 394.45 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-(benzenesulfonyl)-4-hydroxy-6-methoxy-9H-fluoren-3-yl]ethanone is sourced from PubChem (CID 102479883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).