1-(3-chloro-5-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone

C18H17ClO — CID 114974435

IUPAC1-(3-chloro-5-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
SMILESCc1cc(Cl)cc(C(=O)Cc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C18H17ClO/c1-12-7-16(11-17(19)8-12)18(20)10-13-5-6-14-3-2-4-15(14)9-13/h5-9,11H,2-4,10H2,1H3
InChIKeyIGZSQCRNBWLGBT-UHFFFAOYSA-N
MW284.79 g/mol
LogP4.56
Rot. Bonds3

About 1-(3-chloro-5-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone

1-(3-chloro-5-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone (PubChem CID 114974435) has the molecular formula C18H17ClO and a molecular weight of 284.79 g/mol. Its IUPAC name is 1-(3-chloro-5-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-chloro-5-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
PubChem CID114974435
Molecular FormulaC18H17ClO
Molecular Weight284.79 g/mol
Exact Mass284.10
IUPAC Name1-(3-chloro-5-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
SMILESCc1cc(Cl)cc(C(=O)Cc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C18H17ClO/c1-12-7-16(11-17(19)8-12)18(20)10-13-5-6-14-3-2-4-15(14)9-13/h5-9,11H,2-4,10H2,1H3
InChIKeyIGZSQCRNBWLGBT-UHFFFAOYSA-N
XLogP4.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yl)-1-(3,5-dimethylphenyl)ethanone
CID 114974381
1-(3-chloro-5-methylphenyl)-2-(4-methylphenyl)ethanone
CID 81323175
1-(3-chloro-5-methylphenyl)-2-(4-chlorophenyl)ethanone
CID 81323958
1-(3-chloro-5-methylphenyl)-2-(4-methoxyphenyl)ethanone
CID 81323732
2-(3-bromophenyl)-1-(3-chloro-5-methylphenyl)ethanone
CID 81323258
2-(3,4-dimethylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 63490239
2-(3,4-dichlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 63490584
1-(3-chloro-5-methylphenyl)-2-(3,5-difluorophenyl)ethanone
CID 105412246
1-(3-chloro-5-methylphenyl)-2-(3-methoxyphenyl)ethanone
CID 81324031
1-(2,3-dihydro-1H-inden-5-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 114968360
2-(2,3-dihydro-1H-inden-5-yl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105103657
1-(2,6-difluoro-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 114974389

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone?
The IUPAC name of 1-(3-chloro-5-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone (CID 114974435) is 1-(3-chloro-5-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone.
What is the SMILES notation for 1-(3-chloro-5-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone?
The canonical SMILES for 1-(3-chloro-5-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone is Cc1cc(Cl)cc(C(=O)Cc2ccc3c(c2)CCC3)c1.
What is the InChIKey of 1-(3-chloro-5-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone?
The InChIKey is IGZSQCRNBWLGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClO/c1-12-7-16(11-17(19)8-12)18(20)10-13-5-6-14-3-2-4-15(14)9-13/h5-9,11H,2-4,10H2,1H3.
What are the key properties of 1-(3-chloro-5-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone?
1-(3-chloro-5-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone has a molecular weight of 284.79 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone is sourced from PubChem (CID 114974435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).