(4-chloro-3-methylphenyl)-(oxolan-3-yl)methanone

C12H13ClO2 — CID 114972047

IUPAC(4-chloro-3-methylphenyl)-(oxolan-3-yl)methanone
SMILESCc1cc(C(=O)C2CCOC2)ccc1Cl
InChIInChI=1S/C12H13ClO2/c1-8-6-9(2-3-11(8)13)12(14)10-4-5-15-7-10/h2-3,6,10H,4-5,7H2,1H3
InChIKeyWSPXIEZSCAWHHE-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.87
Rot. Bonds2

About (4-chloro-3-methylphenyl)-(oxolan-3-yl)methanone

(4-chloro-3-methylphenyl)-(oxolan-3-yl)methanone (PubChem CID 114972047) has the molecular formula C12H13ClO2 and a molecular weight of 224.69 g/mol. Its IUPAC name is (4-chloro-3-methylphenyl)-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name(4-chloro-3-methylphenyl)-(oxolan-3-yl)methanone
PubChem CID114972047
Molecular FormulaC12H13ClO2
Molecular Weight224.69 g/mol
Exact Mass224.06
IUPAC Name(4-chloro-3-methylphenyl)-(oxolan-3-yl)methanone
SMILESCc1cc(C(=O)C2CCOC2)ccc1Cl
InChIInChI=1S/C12H13ClO2/c1-8-6-9(2-3-11(8)13)12(14)10-4-5-15-7-10/h2-3,6,10H,4-5,7H2,1H3
InChIKeyWSPXIEZSCAWHHE-UHFFFAOYSA-N
XLogP2.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

oxolan-3-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 61272773
(3-fluoro-4-methylphenyl)-(oxan-3-yl)methanone
CID 107128324
(4-chloro-3-methylphenyl)-piperidin-3-ylmethanone
CID 82341467
oxolan-3-yl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanone
CID 116525791
N-(5-acetyl-2-chlorophenyl)oxolane-3-carboxamide
CID 71969033
(4-fluoro-2-methylphenyl)-(oxolan-3-yl)methanone
CID 65330614
(3-fluoro-4-methylphenyl)-(oxan-4-yl)methanone
CID 63935252
(3-iodophenyl)-(oxolan-3-yl)methanone
CID 114972035
(4-ethoxyphenyl)-(oxolan-3-yl)methanone
CID 61272590
(3-chlorophenyl)-(oxan-3-yl)methanone
CID 65332391
2,3-dihydro-1H-indol-5-yl(oxolan-3-yl)methanone
CID 116554107
6-(oxolane-3-carbonyl)-3H-1,3-benzoxazol-2-one
CID 61273175

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methylphenyl)-(oxolan-3-yl)methanone?
The IUPAC name of (4-chloro-3-methylphenyl)-(oxolan-3-yl)methanone (CID 114972047) is (4-chloro-3-methylphenyl)-(oxolan-3-yl)methanone.
What is the SMILES notation for (4-chloro-3-methylphenyl)-(oxolan-3-yl)methanone?
The canonical SMILES for (4-chloro-3-methylphenyl)-(oxolan-3-yl)methanone is Cc1cc(C(=O)C2CCOC2)ccc1Cl.
What is the InChIKey of (4-chloro-3-methylphenyl)-(oxolan-3-yl)methanone?
The InChIKey is WSPXIEZSCAWHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO2/c1-8-6-9(2-3-11(8)13)12(14)10-4-5-15-7-10/h2-3,6,10H,4-5,7H2,1H3.
What are the key properties of (4-chloro-3-methylphenyl)-(oxolan-3-yl)methanone?
(4-chloro-3-methylphenyl)-(oxolan-3-yl)methanone has a molecular weight of 224.69 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methylphenyl)-(oxolan-3-yl)methanone is sourced from PubChem (CID 114972047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).