(5-chlorofuran-2-yl)-(2-ethoxy-5-methylphenyl)methanone

C14H13ClO3 — CID 106683820

IUPAC(5-chlorofuran-2-yl)-(2-ethoxy-5-methylphenyl)methanone
SMILESCCOc1ccc(C)cc1C(=O)c1ccc(Cl)o1
InChIInChI=1S/C14H13ClO3/c1-3-17-11-5-4-9(2)8-10(11)14(16)12-6-7-13(15)18-12/h4-8H,3H2,1-2H3
InChIKeyIEWLIZYSCAQBKL-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.87
Rot. Bonds4

About (5-chlorofuran-2-yl)-(2-ethoxy-5-methylphenyl)methanone

(5-chlorofuran-2-yl)-(2-ethoxy-5-methylphenyl)methanone (PubChem CID 106683820) has the molecular formula C14H13ClO3 and a molecular weight of 264.71 g/mol. Its IUPAC name is (5-chlorofuran-2-yl)-(2-ethoxy-5-methylphenyl)methanone.

Molecular Properties

Compound Name(5-chlorofuran-2-yl)-(2-ethoxy-5-methylphenyl)methanone
PubChem CID106683820
Molecular FormulaC14H13ClO3
Molecular Weight264.71 g/mol
Exact Mass264.06
IUPAC Name(5-chlorofuran-2-yl)-(2-ethoxy-5-methylphenyl)methanone
SMILESCCOc1ccc(C)cc1C(=O)c1ccc(Cl)o1
InChIInChI=1S/C14H13ClO3/c1-3-17-11-5-4-9(2)8-10(11)14(16)12-6-7-13(15)18-12/h4-8H,3H2,1-2H3
InChIKeyIEWLIZYSCAQBKL-UHFFFAOYSA-N
XLogP3.87
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-5-methylphenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 81110926
(5-bromo-2-ethoxyphenyl)-(5-methylfuran-2-yl)methanone
CID 43463855
(2,5-dimethylphenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 63496404
(3-chloro-2-methylphenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 107096172
(5-bromothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methanone
CID 63496583
(4,5-dibromothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methanone
CID 80536132
(4-chloro-3-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 107998309
(2-methoxy-5-methylphenyl)-(5-methylfuran-2-yl)methanone
CID 43626038
3-bromo-4-(2-ethoxy-5-methylphenyl)-4-oxobutanoic acid
CID 79785893
(2-ethoxy-5-methylphenyl)-pyridin-3-ylmethanone
CID 115000096
5-chloro-N-[3-(chloromethyl)-4-ethoxyphenyl]furan-2-carboxamide
CID 106690004
(2-bromo-4,5-dimethoxyphenyl)-(5-chlorofuran-2-yl)methanone
CID 106683733

Frequently Asked Questions

What is the IUPAC name of (5-chlorofuran-2-yl)-(2-ethoxy-5-methylphenyl)methanone?
The IUPAC name of (5-chlorofuran-2-yl)-(2-ethoxy-5-methylphenyl)methanone (CID 106683820) is (5-chlorofuran-2-yl)-(2-ethoxy-5-methylphenyl)methanone.
What is the SMILES notation for (5-chlorofuran-2-yl)-(2-ethoxy-5-methylphenyl)methanone?
The canonical SMILES for (5-chlorofuran-2-yl)-(2-ethoxy-5-methylphenyl)methanone is CCOc1ccc(C)cc1C(=O)c1ccc(Cl)o1.
What is the InChIKey of (5-chlorofuran-2-yl)-(2-ethoxy-5-methylphenyl)methanone?
The InChIKey is IEWLIZYSCAQBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO3/c1-3-17-11-5-4-9(2)8-10(11)14(16)12-6-7-13(15)18-12/h4-8H,3H2,1-2H3.
What are the key properties of (5-chlorofuran-2-yl)-(2-ethoxy-5-methylphenyl)methanone?
(5-chlorofuran-2-yl)-(2-ethoxy-5-methylphenyl)methanone has a molecular weight of 264.71 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorofuran-2-yl)-(2-ethoxy-5-methylphenyl)methanone is sourced from PubChem (CID 106683820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).