7-chloro-3,4-dihydro-2H-anthracen-1-one

C14H11ClO — CID 174638642

IUPAC7-chloro-3,4-dihydro-2H-anthracen-1-one
SMILESO=C1CCCc2cc3ccc(Cl)cc3cc21
InChIInChI=1S/C14H11ClO/c15-12-5-4-9-6-10-2-1-3-14(16)13(10)8-11(9)7-12/h4-8H,1-3H2
InChIKeyXDJPFRSWKMMEGJ-UHFFFAOYSA-N
MW230.69 g/mol
LogP4.01
Rot. Bonds

About 7-chloro-3,4-dihydro-2H-anthracen-1-one

7-chloro-3,4-dihydro-2H-anthracen-1-one (PubChem CID 174638642) has the molecular formula C14H11ClO and a molecular weight of 230.69 g/mol. Its IUPAC name is 7-chloro-3,4-dihydro-2H-anthracen-1-one.

Molecular Properties

Compound Name7-chloro-3,4-dihydro-2H-anthracen-1-one
PubChem CID174638642
Molecular FormulaC14H11ClO
Molecular Weight230.69 g/mol
Exact Mass230.05
IUPAC Name7-chloro-3,4-dihydro-2H-anthracen-1-one
SMILESO=C1CCCc2cc3ccc(Cl)cc3cc21
InChIInChI=1S/C14H11ClO/c15-12-5-4-9-6-10-2-1-3-14(16)13(10)8-11(9)7-12/h4-8H,1-3H2
InChIKeyXDJPFRSWKMMEGJ-UHFFFAOYSA-N
XLogP4.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-chloro-3,4-dihydro-2H-anthracen-1-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

7-cyclohexyl-3,4-dihydro-2H-anthracen-1-one
CID 174638632
5,13-dichlorotricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
CID 46177135
7-chloro-6-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 55297419
6-[(4-chloro-2-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 114849263
6-isocyano-3,4-dihydro-2H-naphthalen-1-one
CID 20814711
7-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-3,4-dihydro-2H-naphthalen-1-one
CID 4520936
3-amino-2-(2,4-dichlorobenzoyl)-7,8-dihydro-6H-benzo[f][1]benzofuran-5-one
CID 58759625
6,7-diphenyl-3,4-dihydro-2H-naphthalen-1-one
CID 102006717
5-phenyl-3,4-dihydro-2H-anthracen-1-one
CID 174638646
7-amino-2-chloro-7,9,10,11-tetrahydro-6H-benzo[9]annulene-5,8-dione
CID 126694549
7-fluoro-6-(4-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 19036893
7-fluoro-6-(2-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 19036879

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3,4-dihydro-2H-anthracen-1-one?
The IUPAC name of 7-chloro-3,4-dihydro-2H-anthracen-1-one (CID 174638642) is 7-chloro-3,4-dihydro-2H-anthracen-1-one.
What is the SMILES notation for 7-chloro-3,4-dihydro-2H-anthracen-1-one?
The canonical SMILES for 7-chloro-3,4-dihydro-2H-anthracen-1-one is O=C1CCCc2cc3ccc(Cl)cc3cc21.
What is the InChIKey of 7-chloro-3,4-dihydro-2H-anthracen-1-one?
The InChIKey is XDJPFRSWKMMEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO/c15-12-5-4-9-6-10-2-1-3-14(16)13(10)8-11(9)7-12/h4-8H,1-3H2.
What are the key properties of 7-chloro-3,4-dihydro-2H-anthracen-1-one?
7-chloro-3,4-dihydro-2H-anthracen-1-one has a molecular weight of 230.69 g/mol, XLogP of 4.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3,4-dihydro-2H-anthracen-1-one is sourced from PubChem (CID 174638642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).