3-(4-chloro-3-methoxyphenyl)-1H-indene

C16H13ClO — CID 14371616

IUPAC3-(4-chloro-3-methoxyphenyl)-1H-indene
SMILESCOc1cc(C2=CCc3ccccc32)ccc1Cl
InChIInChI=1S/C16H13ClO/c1-18-16-10-12(7-9-15(16)17)14-8-6-11-4-2-3-5-13(11)14/h2-5,7-10H,6H2,1H3
InChIKeyVMDMRVKGRCJKAS-UHFFFAOYSA-N
MW256.73 g/mol
LogP4.34
Rot. Bonds2

About 3-(4-chloro-3-methoxyphenyl)-1H-indene

3-(4-chloro-3-methoxyphenyl)-1H-indene (PubChem CID 14371616) has the molecular formula C16H13ClO and a molecular weight of 256.73 g/mol. Its IUPAC name is 3-(4-chloro-3-methoxyphenyl)-1H-indene.

Molecular Properties

Compound Name3-(4-chloro-3-methoxyphenyl)-1H-indene
PubChem CID14371616
Molecular FormulaC16H13ClO
Molecular Weight256.73 g/mol
Exact Mass256.07
IUPAC Name3-(4-chloro-3-methoxyphenyl)-1H-indene
SMILESCOc1cc(C2=CCc3ccccc32)ccc1Cl
InChIInChI=1S/C16H13ClO/c1-18-16-10-12(7-9-15(16)17)14-8-6-11-4-2-3-5-13(11)14/h2-5,7-10H,6H2,1H3
InChIKeyVMDMRVKGRCJKAS-UHFFFAOYSA-N
XLogP4.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(4-chloro-3-methoxyphenyl)-1H-indene 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

1-chloro-4-(4-chloro-3-methoxyphenyl)-2-methoxybenzene
CID 800758
5-chloro-3-(2-methoxyphenyl)-1H-indene
CID 59025516
3-(3,4-difluorophenyl)-1H-indene
CID 90234204
1-[2-(4-chloro-3-methoxyphenyl)phenyl]ethanone
CID 79711690
1,3-dichloro-5-(4-chloro-3-methoxyphenyl)benzene
CID 118811160
3-(2,4,5-trimethylphenyl)-1H-indene
CID 90235042
5,6-dimethoxy-3-(4-methoxyphenyl)-1H-indene
CID 19431302
3-[4-(trifluoromethyl)phenyl]-1H-indene
CID 90234386
1,2,5-trichloro-3-(4-chloro-3-methoxyphenyl)benzene
CID 134627061
4-(4-chloro-3-methoxyphenyl)-1,2,3,6-tetrahydropyridine
CID 79712172
1-[4-(4-chloro-3-methoxyphenyl)-2-pyridinyl]cyclobutan-1-ol
CID 175270286
4-(4-chloro-3-methoxyphenyl)-3-methylbenzaldehyde
CID 81447221

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-methoxyphenyl)-1H-indene?
The IUPAC name of 3-(4-chloro-3-methoxyphenyl)-1H-indene (CID 14371616) is 3-(4-chloro-3-methoxyphenyl)-1H-indene.
What is the SMILES notation for 3-(4-chloro-3-methoxyphenyl)-1H-indene?
The canonical SMILES for 3-(4-chloro-3-methoxyphenyl)-1H-indene is COc1cc(C2=CCc3ccccc32)ccc1Cl.
What is the InChIKey of 3-(4-chloro-3-methoxyphenyl)-1H-indene?
The InChIKey is VMDMRVKGRCJKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClO/c1-18-16-10-12(7-9-15(16)17)14-8-6-11-4-2-3-5-13(11)14/h2-5,7-10H,6H2,1H3.
What are the key properties of 3-(4-chloro-3-methoxyphenyl)-1H-indene?
3-(4-chloro-3-methoxyphenyl)-1H-indene has a molecular weight of 256.73 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-methoxyphenyl)-1H-indene is sourced from PubChem (CID 14371616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).