(3-chloro-4-methylphenyl)-(5-ethylfuran-2-yl)methanone

C14H13ClO2 — CID 63194528

IUPAC(3-chloro-4-methylphenyl)-(5-ethylfuran-2-yl)methanone
SMILESCCc1ccc(C(=O)c2ccc(C)c(Cl)c2)o1
InChIInChI=1S/C14H13ClO2/c1-3-11-6-7-13(17-11)14(16)10-5-4-9(2)12(15)8-10/h4-8H,3H2,1-2H3
InChIKeyYXMUOZWGYSHJDC-UHFFFAOYSA-N
MW248.71 g/mol
LogP4.03
Rot. Bonds3

About (3-chloro-4-methylphenyl)-(5-ethylfuran-2-yl)methanone

(3-chloro-4-methylphenyl)-(5-ethylfuran-2-yl)methanone (PubChem CID 63194528) has the molecular formula C14H13ClO2 and a molecular weight of 248.71 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-(5-ethylfuran-2-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-(5-ethylfuran-2-yl)methanone
PubChem CID63194528
Molecular FormulaC14H13ClO2
Molecular Weight248.71 g/mol
Exact Mass248.06
IUPAC Name(3-chloro-4-methylphenyl)-(5-ethylfuran-2-yl)methanone
SMILESCCc1ccc(C(=O)c2ccc(C)c(Cl)c2)o1
InChIInChI=1S/C14H13ClO2/c1-3-11-6-7-13(17-11)14(16)10-5-4-9(2)12(15)8-10/h4-8H,3H2,1-2H3
InChIKeyYXMUOZWGYSHJDC-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 62344776
(5-chlorofuran-2-yl)-(5-ethylfuran-2-yl)methanone
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(5-chloro-4-methylthiophen-2-yl)-(5-ethylfuran-2-yl)methanone
CID 102762955
5-(5-ethylfuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 79095077
(5-ethylfuran-2-yl)-(4-fluoro-3-methoxyphenyl)methanone
CID 81283012
(3-bromo-4-propoxyphenyl)-(5-ethylfuran-2-yl)methanone
CID 104656982
(3,4-dichlorophenyl)-(5-methylfuran-2-yl)methanone
CID 43463771
[3-bromo-4-(2-methoxyethoxy)phenyl]-(5-ethylfuran-2-yl)methanone
CID 104657127
(5-ethylfuran-2-yl)-(4-propoxyphenyl)methanone
CID 114971031
4-[(5-ethylfuran-2-carbonyl)amino]-3-methylbenzoic acid
CID 43351217
(5-ethylfuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanone
CID 106883367
(3-bromo-4-methylphenyl)-(3-chloro-4-methylphenyl)methanone
CID 103693752

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-(5-ethylfuran-2-yl)methanone?
The IUPAC name of (3-chloro-4-methylphenyl)-(5-ethylfuran-2-yl)methanone (CID 63194528) is (3-chloro-4-methylphenyl)-(5-ethylfuran-2-yl)methanone.
What is the SMILES notation for (3-chloro-4-methylphenyl)-(5-ethylfuran-2-yl)methanone?
The canonical SMILES for (3-chloro-4-methylphenyl)-(5-ethylfuran-2-yl)methanone is CCc1ccc(C(=O)c2ccc(C)c(Cl)c2)o1.
What is the InChIKey of (3-chloro-4-methylphenyl)-(5-ethylfuran-2-yl)methanone?
The InChIKey is YXMUOZWGYSHJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO2/c1-3-11-6-7-13(17-11)14(16)10-5-4-9(2)12(15)8-10/h4-8H,3H2,1-2H3.
What are the key properties of (3-chloro-4-methylphenyl)-(5-ethylfuran-2-yl)methanone?
(3-chloro-4-methylphenyl)-(5-ethylfuran-2-yl)methanone has a molecular weight of 248.71 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylphenyl)-(5-ethylfuran-2-yl)methanone is sourced from PubChem (CID 63194528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).