(4-chloro-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone

C17H13ClO3 — CID 114321301

IUPAC(4-chloro-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone
SMILESCOc1ccc(C)cc1C(=O)c1cc2c(Cl)cccc2o1
InChIInChI=1S/C17H13ClO3/c1-10-6-7-14(20-2)12(8-10)17(19)16-9-11-13(18)4-3-5-15(11)21-16/h3-9H,1-2H3
InChIKeyHWMAEBDWLLMLRS-UHFFFAOYSA-N
MW300.74 g/mol
LogP4.63
Rot. Bonds3

About (4-chloro-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone

(4-chloro-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone (PubChem CID 114321301) has the molecular formula C17H13ClO3 and a molecular weight of 300.74 g/mol. Its IUPAC name is (4-chloro-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone.

Molecular Properties

Compound Name(4-chloro-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone
PubChem CID114321301
Molecular FormulaC17H13ClO3
Molecular Weight300.74 g/mol
Exact Mass300.06
IUPAC Name(4-chloro-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone
SMILESCOc1ccc(C)cc1C(=O)c1cc2c(Cl)cccc2o1
InChIInChI=1S/C17H13ClO3/c1-10-6-7-14(20-2)12(8-10)17(19)16-9-11-13(18)4-3-5-15(11)21-16/h3-9H,1-2H3
InChIKeyHWMAEBDWLLMLRS-UHFFFAOYSA-N
XLogP4.63
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1-benzofuran-2-yl)-(2,5-dichlorophenyl)methanone
CID 114321311
1-(4-methoxy-1-benzofuran-2-yl)ethanone
CID 3042306
(2-methoxy-5-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 115957340
(2-methoxy-5-methylphenyl)-(5-methylfuran-2-yl)methanone
CID 43626038
(5-bromo-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone
CID 29076010
propan-2-yl 4-chloro-1-benzofuran-2-carboxylate
CID 135395825
(3-amino-2-chlorophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 112580781
(3-chloro-2-pyridinyl)-(2-methoxy-5-methylphenyl)methanone
CID 103443137
(7-chloro-1-benzofuran-2-yl)-(5-chloro-2-methoxyphenyl)methanone
CID 115810745
(3,4-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 43625949
(4-chloro-3-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 115781862
(4-chloro-1-benzofuran-2-yl)-thiophen-3-ylmethanone
CID 114321340

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone?
The IUPAC name of (4-chloro-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone (CID 114321301) is (4-chloro-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone.
What is the SMILES notation for (4-chloro-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone?
The canonical SMILES for (4-chloro-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone is COc1ccc(C)cc1C(=O)c1cc2c(Cl)cccc2o1.
What is the InChIKey of (4-chloro-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone?
The InChIKey is HWMAEBDWLLMLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClO3/c1-10-6-7-14(20-2)12(8-10)17(19)16-9-11-13(18)4-3-5-15(11)21-16/h3-9H,1-2H3.
What are the key properties of (4-chloro-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone?
(4-chloro-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone has a molecular weight of 300.74 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone is sourced from PubChem (CID 114321301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).