1-[5-(2-chloro-4-methylphenyl)furan-2-yl]propan-1-one

C14H13ClO2 — CID 62632388

IUPAC1-[5-(2-chloro-4-methylphenyl)furan-2-yl]propan-1-one
SMILESCCC(=O)c1ccc(-c2ccc(C)cc2Cl)o1
InChIInChI=1S/C14H13ClO2/c1-3-12(16)14-7-6-13(17-14)10-5-4-9(2)8-11(10)15/h4-8H,3H2,1-2H3
InChIKeyMPINWIOOPKNOFN-UHFFFAOYSA-N
MW248.71 g/mol
LogP4.50
Rot. Bonds3

About 1-[5-(2-chloro-4-methylphenyl)furan-2-yl]propan-1-one

1-[5-(2-chloro-4-methylphenyl)furan-2-yl]propan-1-one (PubChem CID 62632388) has the molecular formula C14H13ClO2 and a molecular weight of 248.71 g/mol. Its IUPAC name is 1-[5-(2-chloro-4-methylphenyl)furan-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[5-(2-chloro-4-methylphenyl)furan-2-yl]propan-1-one
PubChem CID62632388
Molecular FormulaC14H13ClO2
Molecular Weight248.71 g/mol
Exact Mass248.06
IUPAC Name1-[5-(2-chloro-4-methylphenyl)furan-2-yl]propan-1-one
SMILESCCC(=O)c1ccc(-c2ccc(C)cc2Cl)o1
InChIInChI=1S/C14H13ClO2/c1-3-12(16)14-7-6-13(17-14)10-5-4-9(2)8-11(10)15/h4-8H,3H2,1-2H3
InChIKeyMPINWIOOPKNOFN-UHFFFAOYSA-N
XLogP4.50
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(4-chloro-2-fluorophenyl)furan-2-yl]propan-1-one
CID 55097729
1-[5-(2,5-dibromophenyl)furan-2-yl]propan-1-one
CID 62631513
1-(2-chloro-4-methylphenyl)propan-1-one
CID 103689347
5-(4-bromo-2-chlorophenyl)furan-2-carboxylate
CID 7394546
1-[5-(2-chloro-4-methylphenyl)furan-2-yl]-N-methylmethanamine
CID 43624782
5-(4-bromo-2-chlorophenyl)furan-2-carbohydrazide
CID 94675227
5-(2,4-dichlorophenyl)-N-(3,5-dimethylphenyl)furan-2-carboxamide
CID 23991423
1-[5-(2-chloro-4-methylphenyl)furan-2-yl]ethanamine
CID 62498412
5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 11514393
1-(2-chloro-4-methylphenyl)-2-(4-methylphenyl)ethanone
CID 106861498
N-[1-[5-(2-chloro-4-methylphenyl)furan-2-yl]ethyl]propan-1-amine
CID 63398504
1-[5-(2-propan-2-ylphenyl)furan-2-yl]propan-1-one
CID 62631863

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-chloro-4-methylphenyl)furan-2-yl]propan-1-one?
The IUPAC name of 1-[5-(2-chloro-4-methylphenyl)furan-2-yl]propan-1-one (CID 62632388) is 1-[5-(2-chloro-4-methylphenyl)furan-2-yl]propan-1-one.
What is the SMILES notation for 1-[5-(2-chloro-4-methylphenyl)furan-2-yl]propan-1-one?
The canonical SMILES for 1-[5-(2-chloro-4-methylphenyl)furan-2-yl]propan-1-one is CCC(=O)c1ccc(-c2ccc(C)cc2Cl)o1.
What is the InChIKey of 1-[5-(2-chloro-4-methylphenyl)furan-2-yl]propan-1-one?
The InChIKey is MPINWIOOPKNOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO2/c1-3-12(16)14-7-6-13(17-14)10-5-4-9(2)8-11(10)15/h4-8H,3H2,1-2H3.
What are the key properties of 1-[5-(2-chloro-4-methylphenyl)furan-2-yl]propan-1-one?
1-[5-(2-chloro-4-methylphenyl)furan-2-yl]propan-1-one has a molecular weight of 248.71 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-chloro-4-methylphenyl)furan-2-yl]propan-1-one is sourced from PubChem (CID 62632388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).