(3-chloro-5-methylphenyl)-(5-methylfuran-2-yl)methanone

C13H11ClO2 — CID 81323383

IUPAC(3-chloro-5-methylphenyl)-(5-methylfuran-2-yl)methanone
SMILESCc1cc(Cl)cc(C(=O)c2ccc(C)o2)c1
InChIInChI=1S/C13H11ClO2/c1-8-5-10(7-11(14)6-8)13(15)12-4-3-9(2)16-12/h3-7H,1-2H3
InChIKeyRHWLKUPKAWQNDA-UHFFFAOYSA-N
MW234.68 g/mol
LogP3.78
Rot. Bonds2

About (3-chloro-5-methylphenyl)-(5-methylfuran-2-yl)methanone

(3-chloro-5-methylphenyl)-(5-methylfuran-2-yl)methanone (PubChem CID 81323383) has the molecular formula C13H11ClO2 and a molecular weight of 234.68 g/mol. Its IUPAC name is (3-chloro-5-methylphenyl)-(5-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name(3-chloro-5-methylphenyl)-(5-methylfuran-2-yl)methanone
PubChem CID81323383
Molecular FormulaC13H11ClO2
Molecular Weight234.68 g/mol
Exact Mass234.04
IUPAC Name(3-chloro-5-methylphenyl)-(5-methylfuran-2-yl)methanone
SMILESCc1cc(Cl)cc(C(=O)c2ccc(C)o2)c1
InChIInChI=1S/C13H11ClO2/c1-8-5-10(7-11(14)6-8)13(15)12-4-3-9(2)16-12/h3-7H,1-2H3
InChIKeyRHWLKUPKAWQNDA-UHFFFAOYSA-N
XLogP3.78
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.68
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-5-methylphenyl)-[5-(methoxymethyl)furan-2-yl]methanone
CID 113461681
(3,4-dichlorophenyl)-(5-methylfuran-2-yl)methanone
CID 43463771
(3-chloro-5-methylphenyl)-(2-chlorophenyl)methanone
CID 114963332
(2,5-dichlorothiophen-3-yl)-(5-methylfuran-2-yl)methanone
CID 43463797
methyl 5-(3,5-dimethylbenzoyl)furan-2-carboxylate
CID 21387630
1-(3-chloro-5-methylphenyl)-2-(4-chlorophenyl)ethanone
CID 81323958
1-(3-chloro-5-methylphenyl)-2-(4-methylphenyl)ethanone
CID 81323175
(3-bromo-4-fluorophenyl)-(5-methylfuran-2-yl)methanone
CID 79735004
(5-chloro-1-benzofuran-2-yl)-(5-methylfuran-2-yl)methanone
CID 29076016
(3-chloro-5-methylphenyl)-thiophen-3-ylmethanone
CID 114975196
(5-chloro-2-hydroxyphenyl)-(3-chloro-5-methylphenyl)methanone
CID 11594340
1-(3-chloro-5-methylphenyl)-2-(4-methoxyphenyl)ethanone
CID 81323732

Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-methylphenyl)-(5-methylfuran-2-yl)methanone?
The IUPAC name of (3-chloro-5-methylphenyl)-(5-methylfuran-2-yl)methanone (CID 81323383) is (3-chloro-5-methylphenyl)-(5-methylfuran-2-yl)methanone.
What is the SMILES notation for (3-chloro-5-methylphenyl)-(5-methylfuran-2-yl)methanone?
The canonical SMILES for (3-chloro-5-methylphenyl)-(5-methylfuran-2-yl)methanone is Cc1cc(Cl)cc(C(=O)c2ccc(C)o2)c1.
What is the InChIKey of (3-chloro-5-methylphenyl)-(5-methylfuran-2-yl)methanone?
The InChIKey is RHWLKUPKAWQNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO2/c1-8-5-10(7-11(14)6-8)13(15)12-4-3-9(2)16-12/h3-7H,1-2H3.
What are the key properties of (3-chloro-5-methylphenyl)-(5-methylfuran-2-yl)methanone?
(3-chloro-5-methylphenyl)-(5-methylfuran-2-yl)methanone has a molecular weight of 234.68 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-methylphenyl)-(5-methylfuran-2-yl)methanone is sourced from PubChem (CID 81323383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).