1-(3-chloro-4-methylphenyl)-4-(oxolan-2-yl)butan-1-one

C15H19ClO2 — CID 114976767

IUPAC1-(3-chloro-4-methylphenyl)-4-(oxolan-2-yl)butan-1-one
SMILESCc1ccc(C(=O)CCCC2CCCO2)cc1Cl
InChIInChI=1S/C15H19ClO2/c1-11-7-8-12(10-14(11)16)15(17)6-2-4-13-5-3-9-18-13/h7-8,10,13H,2-6,9H2,1H3
InChIKeyIZYVWAIZYWRFGJ-UHFFFAOYSA-N
MW266.77 g/mol
LogP4.18
Rot. Bonds5

About 1-(3-chloro-4-methylphenyl)-4-(oxolan-2-yl)butan-1-one

1-(3-chloro-4-methylphenyl)-4-(oxolan-2-yl)butan-1-one (PubChem CID 114976767) has the molecular formula C15H19ClO2 and a molecular weight of 266.77 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-4-(oxolan-2-yl)butan-1-one.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-4-(oxolan-2-yl)butan-1-one
PubChem CID114976767
Molecular FormulaC15H19ClO2
Molecular Weight266.77 g/mol
Exact Mass266.11
IUPAC Name1-(3-chloro-4-methylphenyl)-4-(oxolan-2-yl)butan-1-one
SMILESCc1ccc(C(=O)CCCC2CCCO2)cc1Cl
InChIInChI=1S/C15H19ClO2/c1-11-7-8-12(10-14(11)16)15(17)6-2-4-13-5-3-9-18-13/h7-8,10,13H,2-6,9H2,1H3
InChIKeyIZYVWAIZYWRFGJ-UHFFFAOYSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-chloro-4-methylphenyl)-4-(oxolan-2-yl)butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-amino-3,5-dichlorophenyl)-4-(oxolan-2-yl)butan-1-one
CID 116609950
1-(3,4-dichlorophenyl)-3-(oxolan-2-yl)propan-1-one
CID 65155022
1-(3-amino-4-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 116550972
4-bromo-1-(3-chloro-4-methylphenyl)butan-1-one
CID 146005835
1-(3-methoxyphenyl)-4-(oxolan-2-yl)butan-1-one
CID 65167309
N-(3-chloro-4-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 42956710
4-(oxolan-2-yl)-1-quinolin-6-ylbutan-1-one
CID 65167269
1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 65167153
1-(2-chlorofuran-3-yl)-4-(oxolan-2-yl)butan-1-one
CID 106691075
3-(3-chloro-4-methylphenyl)-1-methyl-1-[3-(oxolan-2-yl)propyl]urea
CID 118767228
1-(3,4-dichlorophenyl)-5-(oxolan-2-yl)pentan-2-one
CID 65167105
7-amino-1-(3-chloro-4-methylphenyl)heptan-1-one
CID 107561224

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-4-(oxolan-2-yl)butan-1-one?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-4-(oxolan-2-yl)butan-1-one (CID 114976767) is 1-(3-chloro-4-methylphenyl)-4-(oxolan-2-yl)butan-1-one.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-4-(oxolan-2-yl)butan-1-one?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-4-(oxolan-2-yl)butan-1-one is Cc1ccc(C(=O)CCCC2CCCO2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-4-(oxolan-2-yl)butan-1-one?
The InChIKey is IZYVWAIZYWRFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO2/c1-11-7-8-12(10-14(11)16)15(17)6-2-4-13-5-3-9-18-13/h7-8,10,13H,2-6,9H2,1H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-4-(oxolan-2-yl)butan-1-one?
1-(3-chloro-4-methylphenyl)-4-(oxolan-2-yl)butan-1-one has a molecular weight of 266.77 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-4-(oxolan-2-yl)butan-1-one is sourced from PubChem (CID 114976767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).