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

C17H15ClO — CID 106892979

IUPAC(2-chloro-3-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone
SMILESCc1cccc(C(=O)C2Cc3ccccc3C2)c1Cl
InChIInChI=1S/C17H15ClO/c1-11-5-4-8-15(16(11)18)17(19)14-9-12-6-2-3-7-13(12)10-14/h2-8,14H,9-10H2,1H3
InChIKeyUSKVRKSZNIBXDI-UHFFFAOYSA-N
MW270.76 g/mol
LogP4.25
Rot. Bonds2

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

(2-chloro-3-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone (PubChem CID 106892979) has the molecular formula C17H15ClO and a molecular weight of 270.76 g/mol. Its IUPAC name is (2-chloro-3-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone.

Molecular Properties

Compound Name(2-chloro-3-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone
PubChem CID106892979
Molecular FormulaC17H15ClO
Molecular Weight270.76 g/mol
Exact Mass270.08
IUPAC Name(2-chloro-3-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone
SMILESCc1cccc(C(=O)C2Cc3ccccc3C2)c1Cl
InChIInChI=1S/C17H15ClO/c1-11-5-4-8-15(16(11)18)17(19)14-9-12-6-2-3-7-13(12)10-14/h2-8,14H,9-10H2,1H3
InChIKeyUSKVRKSZNIBXDI-UHFFFAOYSA-N
XLogP4.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone?
The IUPAC name of (2-chloro-3-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone (CID 106892979) is (2-chloro-3-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone.
What is the SMILES notation for (2-chloro-3-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone?
The canonical SMILES for (2-chloro-3-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone is Cc1cccc(C(=O)C2Cc3ccccc3C2)c1Cl.
What is the InChIKey of (2-chloro-3-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone?
The InChIKey is USKVRKSZNIBXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClO/c1-11-5-4-8-15(16(11)18)17(19)14-9-12-6-2-3-7-13(12)10-14/h2-8,14H,9-10H2,1H3.
What are the key properties of (2-chloro-3-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone?
(2-chloro-3-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone has a molecular weight of 270.76 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone is sourced from PubChem (CID 106892979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).