5,6-dichloro-7-hydroxy-9a-propan-2-yl-2,9-dihydro-1H-fluoren-3-one

C16H16Cl2O2 — CID 20520823

IUPAC5,6-dichloro-7-hydroxy-9a-propan-2-yl-2,9-dihydro-1H-fluoren-3-one
SMILESCC(C)C12CCC(=O)C=C1c1c(cc(O)c(Cl)c1Cl)C2
InChIInChI=1S/C16H16Cl2O2/c1-8(2)16-4-3-10(19)6-11(16)13-9(7-16)5-12(20)14(17)15(13)18/h5-6,8,20H,3-4,7H2,1-2H3
InChIKeyCTMCNHUBEHUCPI-UHFFFAOYSA-N
MW311.21 g/mol
LogP4.64
Rot. Bonds1

About 5,6-dichloro-7-hydroxy-9a-propan-2-yl-2,9-dihydro-1H-fluoren-3-one

5,6-dichloro-7-hydroxy-9a-propan-2-yl-2,9-dihydro-1H-fluoren-3-one (PubChem CID 20520823) has the molecular formula C16H16Cl2O2 and a molecular weight of 311.21 g/mol. Its IUPAC name is 5,6-dichloro-7-hydroxy-9a-propan-2-yl-2,9-dihydro-1H-fluoren-3-one.

Molecular Properties

Compound Name5,6-dichloro-7-hydroxy-9a-propan-2-yl-2,9-dihydro-1H-fluoren-3-one
PubChem CID20520823
Molecular FormulaC16H16Cl2O2
Molecular Weight311.21 g/mol
Exact Mass310.05
IUPAC Name5,6-dichloro-7-hydroxy-9a-propan-2-yl-2,9-dihydro-1H-fluoren-3-one
SMILESCC(C)C12CCC(=O)C=C1c1c(cc(O)c(Cl)c1Cl)C2
InChIInChI=1S/C16H16Cl2O2/c1-8(2)16-4-3-10(19)6-11(16)13-9(7-16)5-12(20)14(17)15(13)18/h5-6,8,20H,3-4,7H2,1-2H3
InChIKeyCTMCNHUBEHUCPI-UHFFFAOYSA-N
XLogP4.64
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,6-dichloro-7-hydroxy-9a-propan-2-yl-2,9-dihydro-1H-fluoren-3-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-Chloroestrone
CID 11493223
(8R,9S,13S,14S)-2-chloro-13-ethyl-3-hydroxy-7,8,9,11,12,13,15,16-octahydro-6H-cyclopenta[a]phenanthren-17(14H)-one
CID 11573293
4-[(3,4-dichloro-6-oxo-8a-propyl-8,9-dihydro-7H-fluoren-2-yl)oxy]butanoic acid
CID 13613346
9a-(4-chlorobenzyl)-7-hydroxy-4-methyl-1,2,9,9a-tetrahydro-3H-fluoren-3-one
CID 16082556
5,6-dichloro-7-hydroxy-9a-propyl-2,9-dihydro-1H-fluoren-3-one
CID 13613335
6,7-Dichloro-5-hydroxy-2-methyl-2-phenylindan-1-one
CID 93690
4-[(3,4-dichloro-8a-ethyl-6-oxo-8,9-dihydro-7H-fluoren-2-yl)oxy]butanoic acid
CID 13613348
(9aS)-4-bromo-9a-butyl-8-chloro-6-fluoro-7-hydroxy-2,9-dihydro-1H-fluoren-3-one
CID 11949349
(1S,12R)-4,10-dichloro-5-hydroxytetracyclo[10.2.1.01,9.03,8]pentadeca-3(8),4,6,9-tetraen-11-one
CID 11543891
(1S,12R)-4-chloro-5-hydroxytetracyclo[10.2.1.01,9.03,8]pentadeca-3(8),4,6,9-tetraen-11-one
CID 16726787
9a-butyl-8-chloro-4-ethyl-6-fluoro-7-hydroxy-2,9-dihydro-1H-fluoren-3-one
CID 9923873
8-chloro-9a-ethyl-6-fluoro-7-hydroxy-4-methyl-2,9-dihydro-1H-fluoren-3-one
CID 9965937

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-7-hydroxy-9a-propan-2-yl-2,9-dihydro-1H-fluoren-3-one?
The IUPAC name of 5,6-dichloro-7-hydroxy-9a-propan-2-yl-2,9-dihydro-1H-fluoren-3-one (CID 20520823) is 5,6-dichloro-7-hydroxy-9a-propan-2-yl-2,9-dihydro-1H-fluoren-3-one.
What is the SMILES notation for 5,6-dichloro-7-hydroxy-9a-propan-2-yl-2,9-dihydro-1H-fluoren-3-one?
The canonical SMILES for 5,6-dichloro-7-hydroxy-9a-propan-2-yl-2,9-dihydro-1H-fluoren-3-one is CC(C)C12CCC(=O)C=C1c1c(cc(O)c(Cl)c1Cl)C2.
What is the InChIKey of 5,6-dichloro-7-hydroxy-9a-propan-2-yl-2,9-dihydro-1H-fluoren-3-one?
The InChIKey is CTMCNHUBEHUCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2O2/c1-8(2)16-4-3-10(19)6-11(16)13-9(7-16)5-12(20)14(17)15(13)18/h5-6,8,20H,3-4,7H2,1-2H3.
What are the key properties of 5,6-dichloro-7-hydroxy-9a-propan-2-yl-2,9-dihydro-1H-fluoren-3-one?
5,6-dichloro-7-hydroxy-9a-propan-2-yl-2,9-dihydro-1H-fluoren-3-one has a molecular weight of 311.21 g/mol, XLogP of 4.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-7-hydroxy-9a-propan-2-yl-2,9-dihydro-1H-fluoren-3-one is sourced from PubChem (CID 20520823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).