6-chloro-3,4-dihydro-2H-chromene

C9H9ClO — CID 12725196

IUPAC6-chloro-3,4-dihydro-2H-chromene
SMILESClc1ccc2c(c1)CCCO2
InChIInChI=1S/C9H9ClO/c10-8-3-4-9-7(6-8)2-1-5-11-9/h3-4,6H,1-2,5H2
InChIKeyKPQIWYXPCLLEIJ-UHFFFAOYSA-N
MW168.62 g/mol
LogP2.66
Rot. Bonds

About 6-chloro-3,4-dihydro-2H-chromene

6-chloro-3,4-dihydro-2H-chromene (PubChem CID 12725196) has the molecular formula C9H9ClO and a molecular weight of 168.62 g/mol. Its IUPAC name is 6-chloro-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-chloro-3,4-dihydro-2H-chromene
PubChem CID12725196
Molecular FormulaC9H9ClO
Molecular Weight168.62 g/mol
Exact Mass168.03
IUPAC Name6-chloro-3,4-dihydro-2H-chromene
SMILESClc1ccc2c(c1)CCCO2
InChIInChI=1S/C9H9ClO/c10-8-3-4-9-7(6-8)2-1-5-11-9/h3-4,6H,1-2,5H2
InChIKeyKPQIWYXPCLLEIJ-UHFFFAOYSA-N
XLogP2.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.62
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-chloro-3,4-dihydro-2H-chromene 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

MCPB-sodium
CID 23675729
MCPA methyl ester
CID 17089
4-Chloro-2-methylphenoxyacetic acid ethyl ester
CID 17603
6-Chloro-2-(4-chlorophenyl)-3,4-dihydro-2H-1-benzopyran
CID 126331
2-(3'-Chlorobenzyloxy)phenylboronic acid
CID 16217683
MCPB-ethyl
CID 25286
6-Chlorocoumarin
CID 16321
4-Chloro-2-methylanisole
CID 76748
1-(4-Chlorobutoxy)-2-methylbenzene
CID 96477
Benzene, 1-chloro-4-(phenylmethoxy)-
CID 139062
2-(2-Allyl-4-chlorophenoxy)acetic acid
CID 248828
1-Chloro-4-((4-iodobenzyl)oxy)benzene
CID 65489731

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3,4-dihydro-2H-chromene?
The IUPAC name of 6-chloro-3,4-dihydro-2H-chromene (CID 12725196) is 6-chloro-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-chloro-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-chloro-3,4-dihydro-2H-chromene is Clc1ccc2c(c1)CCCO2.
What is the InChIKey of 6-chloro-3,4-dihydro-2H-chromene?
The InChIKey is KPQIWYXPCLLEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO/c10-8-3-4-9-7(6-8)2-1-5-11-9/h3-4,6H,1-2,5H2.
What are the key properties of 6-chloro-3,4-dihydro-2H-chromene?
6-chloro-3,4-dihydro-2H-chromene has a molecular weight of 168.62 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3,4-dihydro-2H-chromene is sourced from PubChem (CID 12725196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).