2-chloro-1-methyl-3-phenyl-1H-indene

C16H13Cl — CID 13149961

IUPAC2-chloro-1-methyl-3-phenyl-1H-indene
SMILESCC1C(Cl)=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C16H13Cl/c1-11-13-9-5-6-10-14(13)15(16(11)17)12-7-3-2-4-8-12/h2-11H,1H3
InChIKeyLWPHQFQXPMGJDF-UHFFFAOYSA-N
MW240.73 g/mol
LogP4.80
Rot. Bonds1

About 2-chloro-1-methyl-3-phenyl-1H-indene

2-chloro-1-methyl-3-phenyl-1H-indene (PubChem CID 13149961) has the molecular formula C16H13Cl and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-chloro-1-methyl-3-phenyl-1H-indene.

Molecular Properties

Compound Name2-chloro-1-methyl-3-phenyl-1H-indene
PubChem CID13149961
Molecular FormulaC16H13Cl
Molecular Weight240.73 g/mol
Exact Mass240.07
IUPAC Name2-chloro-1-methyl-3-phenyl-1H-indene
SMILESCC1C(Cl)=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C16H13Cl/c1-11-13-9-5-6-10-14(13)15(16(11)17)12-7-3-2-4-8-12/h2-11H,1H3
InChIKeyLWPHQFQXPMGJDF-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-3-phenyl-1H-indene-2-carboxylic acid
CID 177461610
3-(4-chlorophenyl)-1,2-dimethyl-1H-indene
CID 86117388
1-phenyl-2-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)benzene
CID 141312079
3-fluoro-1-methyl-2-phenyl-1H-indene
CID 86003078
(9S,18S,27S)-9,18,27-trimethylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 101264087
7-phenyl-2,2a-dihydro-1H-cyclobuta[a]indene
CID 90884899
9-methyl-9H-fluorene;prop-1-ene
CID 145012304
9-(9-methyl-9H-fluoren-2-yl)-10-phenylanthracene
CID 20822440
7-iodo-8-phenyl-6a,12b-dihydronaphtho[2,1-c]isochromen-5-one
CID 134841990
5-phenyl-10-[4-(5-phenylindeno[1,2-b]inden-10-yl)phenyl]indeno[2,1-a]indene
CID 177426395
1-bromo-2-(4-methoxyphenyl)-3-phenyl-1H-indene
CID 162400233
1-[(1R,2S)-2-methylcyclobutyl]-2-phenylbenzene
CID 162408890

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-methyl-3-phenyl-1H-indene?
The IUPAC name of 2-chloro-1-methyl-3-phenyl-1H-indene (CID 13149961) is 2-chloro-1-methyl-3-phenyl-1H-indene.
What is the SMILES notation for 2-chloro-1-methyl-3-phenyl-1H-indene?
The canonical SMILES for 2-chloro-1-methyl-3-phenyl-1H-indene is CC1C(Cl)=C(c2ccccc2)c2ccccc21.
What is the InChIKey of 2-chloro-1-methyl-3-phenyl-1H-indene?
The InChIKey is LWPHQFQXPMGJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl/c1-11-13-9-5-6-10-14(13)15(16(11)17)12-7-3-2-4-8-12/h2-11H,1H3.
What are the key properties of 2-chloro-1-methyl-3-phenyl-1H-indene?
2-chloro-1-methyl-3-phenyl-1H-indene has a molecular weight of 240.73 g/mol, XLogP of 4.80, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-methyl-3-phenyl-1H-indene is sourced from PubChem (CID 13149961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).