(3-chloro-2-methylphenyl)-(cyclopenten-1-yl)methanone

C13H13ClO — CID 107096169

IUPAC(3-chloro-2-methylphenyl)-(cyclopenten-1-yl)methanone
SMILESCc1c(Cl)cccc1C(=O)C1=CCCC1
InChIInChI=1S/C13H13ClO/c1-9-11(7-4-8-12(9)14)13(15)10-5-2-3-6-10/h4-5,7-8H,2-3,6H2,1H3
InChIKeyCDVHUGMWUSATSY-UHFFFAOYSA-N
MW220.70 g/mol
LogP3.94
Rot. Bonds2

About (3-chloro-2-methylphenyl)-(cyclopenten-1-yl)methanone

(3-chloro-2-methylphenyl)-(cyclopenten-1-yl)methanone (PubChem CID 107096169) has the molecular formula C13H13ClO and a molecular weight of 220.70 g/mol. Its IUPAC name is (3-chloro-2-methylphenyl)-(cyclopenten-1-yl)methanone.

Molecular Properties

Compound Name(3-chloro-2-methylphenyl)-(cyclopenten-1-yl)methanone
PubChem CID107096169
Molecular FormulaC13H13ClO
Molecular Weight220.70 g/mol
Exact Mass220.07
IUPAC Name(3-chloro-2-methylphenyl)-(cyclopenten-1-yl)methanone
SMILESCc1c(Cl)cccc1C(=O)C1=CCCC1
InChIInChI=1S/C13H13ClO/c1-9-11(7-4-8-12(9)14)13(15)10-5-2-3-6-10/h4-5,7-8H,2-3,6H2,1H3
InChIKeyCDVHUGMWUSATSY-UHFFFAOYSA-N
XLogP3.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-methylphenyl)-(cyclopenten-1-yl)methanone?
The IUPAC name of (3-chloro-2-methylphenyl)-(cyclopenten-1-yl)methanone (CID 107096169) is (3-chloro-2-methylphenyl)-(cyclopenten-1-yl)methanone.
What is the SMILES notation for (3-chloro-2-methylphenyl)-(cyclopenten-1-yl)methanone?
The canonical SMILES for (3-chloro-2-methylphenyl)-(cyclopenten-1-yl)methanone is Cc1c(Cl)cccc1C(=O)C1=CCCC1.
What is the InChIKey of (3-chloro-2-methylphenyl)-(cyclopenten-1-yl)methanone?
The InChIKey is CDVHUGMWUSATSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClO/c1-9-11(7-4-8-12(9)14)13(15)10-5-2-3-6-10/h4-5,7-8H,2-3,6H2,1H3.
What are the key properties of (3-chloro-2-methylphenyl)-(cyclopenten-1-yl)methanone?
(3-chloro-2-methylphenyl)-(cyclopenten-1-yl)methanone has a molecular weight of 220.70 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-methylphenyl)-(cyclopenten-1-yl)methanone is sourced from PubChem (CID 107096169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).