1,4-dichloro-1H-indene

C9H6Cl2 — CID 139796127

IUPAC1,4-dichloro-1H-indene
SMILESClc1cccc2c1C=CC2Cl
InChIInChI=1S/C9H6Cl2/c10-8-3-1-2-6-7(8)4-5-9(6)11/h1-5,9H
InChIKeyRZYLWBLUPGPZJR-UHFFFAOYSA-N
MW185.05 g/mol
LogP3.65
Rot. Bonds

About 1,4-dichloro-1H-indene

1,4-dichloro-1H-indene (PubChem CID 139796127) has the molecular formula C9H6Cl2 and a molecular weight of 185.05 g/mol. Its IUPAC name is 1,4-dichloro-1H-indene.

Molecular Properties

Compound Name1,4-dichloro-1H-indene
PubChem CID139796127
Molecular FormulaC9H6Cl2
Molecular Weight185.05 g/mol
Exact Mass183.98
IUPAC Name1,4-dichloro-1H-indene
SMILESClc1cccc2c1C=CC2Cl
InChIInChI=1S/C9H6Cl2/c10-8-3-1-2-6-7(8)4-5-9(6)11/h1-5,9H
InChIKeyRZYLWBLUPGPZJR-UHFFFAOYSA-N
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.05
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-1-methyl-1H-indene
CID 141174083
1-chloro-1H-phenalene
CID 118456888
1-chloro-1H-indene;titanium;dihydrochloride
CID 174637282
7-chloro-2-pyridin-2-yl-2,3,4a,10b-tetrahydrobenzo[f]chromen-1-one
CID 145204982
(3aR,8bR)-5-chloro-3a,8b-dihydro-3H-cyclopenta[b][1]benzofuran
CID 18601286
(1S,8S)-3,10-dichloropentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene
CID 95564315
3,10-dichloropentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene
CID 4224088
4-chloro-1-[2-(4-chloro-2-methyl-1H-inden-1-yl)propan-2-yl]-2-methyl-1H-indene
CID 67039433
4-chloro-1-[(4-chloro-2-cyclopropyl-1H-inden-1-yl)sulfanyl]-2-cyclopropyl-1H-indene
CID 138599441
6-(2-chlorophenyl)cyclohexa-2,4-dien-1-one
CID 169094136
(3aS,4R,9bR)-6-chloro-4-(2,3-dichlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 6550130
(3aR,4S,9bR)-6-chloro-4-(2,3-dichlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 6973768

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-1H-indene?
The IUPAC name of 1,4-dichloro-1H-indene (CID 139796127) is 1,4-dichloro-1H-indene.
What is the SMILES notation for 1,4-dichloro-1H-indene?
The canonical SMILES for 1,4-dichloro-1H-indene is Clc1cccc2c1C=CC2Cl.
What is the InChIKey of 1,4-dichloro-1H-indene?
The InChIKey is RZYLWBLUPGPZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2/c10-8-3-1-2-6-7(8)4-5-9(6)11/h1-5,9H.
What are the key properties of 1,4-dichloro-1H-indene?
1,4-dichloro-1H-indene has a molecular weight of 185.05 g/mol, XLogP of 3.65, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-1H-indene is sourced from PubChem (CID 139796127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).