(5-chlorofuran-2-yl)-(4-methoxy-3,5-dimethylphenyl)methanone

C14H13ClO3 — CID 106683883

IUPAC(5-chlorofuran-2-yl)-(4-methoxy-3,5-dimethylphenyl)methanone
SMILESCOc1c(C)cc(C(=O)c2ccc(Cl)o2)cc1C
InChIInChI=1S/C14H13ClO3/c1-8-6-10(7-9(2)14(8)17-3)13(16)11-4-5-12(15)18-11/h4-7H,1-3H3
InChIKeySZYCPJXPNGYSPP-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.79
Rot. Bonds3

About (5-chlorofuran-2-yl)-(4-methoxy-3,5-dimethylphenyl)methanone

(5-chlorofuran-2-yl)-(4-methoxy-3,5-dimethylphenyl)methanone (PubChem CID 106683883) has the molecular formula C14H13ClO3 and a molecular weight of 264.71 g/mol. Its IUPAC name is (5-chlorofuran-2-yl)-(4-methoxy-3,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(5-chlorofuran-2-yl)-(4-methoxy-3,5-dimethylphenyl)methanone
PubChem CID106683883
Molecular FormulaC14H13ClO3
Molecular Weight264.71 g/mol
Exact Mass264.06
IUPAC Name(5-chlorofuran-2-yl)-(4-methoxy-3,5-dimethylphenyl)methanone
SMILESCOc1c(C)cc(C(=O)c2ccc(Cl)o2)cc1C
InChIInChI=1S/C14H13ClO3/c1-8-6-10(7-9(2)14(8)17-3)13(16)11-4-5-12(15)18-11/h4-7H,1-3H3
InChIKeySZYCPJXPNGYSPP-UHFFFAOYSA-N
XLogP3.79
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-2-methoxy-3,6-dimethylphenyl)-(5-chlorofuran-2-yl)methanone
CID 106683887
(4-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 2756951
(3-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methanone
CID 106683749
(2-chloro-4,5-dimethoxyphenyl)-(5-chlorofuran-2-yl)methanone
CID 106683764
(5-chlorofuran-2-yl)-(3,5-difluorophenyl)methanone
CID 106690978
(4-ethylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83057344
(2-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methanone
CID 106683799
(2-bromo-4,5-dimethoxyphenyl)-(5-chlorofuran-2-yl)methanone
CID 106683733
(5-chlorofuran-2-yl)-(2,4-dimethoxyphenyl)methanone
CID 106690992
(5-chlorofuran-2-yl)-(5-fluoro-2-methylphenyl)methanone
CID 106690980
(5-chlorofuran-2-yl)-(2,3-dimethylphenyl)methanone
CID 106690970
(4-chloro-2-fluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83057194

Frequently Asked Questions

What is the IUPAC name of (5-chlorofuran-2-yl)-(4-methoxy-3,5-dimethylphenyl)methanone?
The IUPAC name of (5-chlorofuran-2-yl)-(4-methoxy-3,5-dimethylphenyl)methanone (CID 106683883) is (5-chlorofuran-2-yl)-(4-methoxy-3,5-dimethylphenyl)methanone.
What is the SMILES notation for (5-chlorofuran-2-yl)-(4-methoxy-3,5-dimethylphenyl)methanone?
The canonical SMILES for (5-chlorofuran-2-yl)-(4-methoxy-3,5-dimethylphenyl)methanone is COc1c(C)cc(C(=O)c2ccc(Cl)o2)cc1C.
What is the InChIKey of (5-chlorofuran-2-yl)-(4-methoxy-3,5-dimethylphenyl)methanone?
The InChIKey is SZYCPJXPNGYSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO3/c1-8-6-10(7-9(2)14(8)17-3)13(16)11-4-5-12(15)18-11/h4-7H,1-3H3.
What are the key properties of (5-chlorofuran-2-yl)-(4-methoxy-3,5-dimethylphenyl)methanone?
(5-chlorofuran-2-yl)-(4-methoxy-3,5-dimethylphenyl)methanone has a molecular weight of 264.71 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorofuran-2-yl)-(4-methoxy-3,5-dimethylphenyl)methanone is sourced from PubChem (CID 106683883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).