(2,4-dichlorophenyl)-(7-methoxy-1-benzofuran-2-yl)methanone

C16H10Cl2O3 — CID 1480056

IUPAC(2,4-dichlorophenyl)-(7-methoxy-1-benzofuran-2-yl)methanone
SMILESCOc1cccc2cc(C(=O)c3ccc(Cl)cc3Cl)oc12
InChIInChI=1S/C16H10Cl2O3/c1-20-13-4-2-3-9-7-14(21-16(9)13)15(19)11-6-5-10(17)8-12(11)18/h2-8H,1H3
InChIKeyTTZHNZWZIFPVHY-UHFFFAOYSA-N
MW321.16 g/mol
LogP4.98
Rot. Bonds3

About (2,4-dichlorophenyl)-(7-methoxy-1-benzofuran-2-yl)methanone

(2,4-dichlorophenyl)-(7-methoxy-1-benzofuran-2-yl)methanone (PubChem CID 1480056) has the molecular formula C16H10Cl2O3 and a molecular weight of 321.16 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(7-methoxy-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(7-methoxy-1-benzofuran-2-yl)methanone
PubChem CID1480056
Molecular FormulaC16H10Cl2O3
Molecular Weight321.16 g/mol
Exact Mass320.00
IUPAC Name(2,4-dichlorophenyl)-(7-methoxy-1-benzofuran-2-yl)methanone
SMILESCOc1cccc2cc(C(=O)c3ccc(Cl)cc3Cl)oc12
InChIInChI=1S/C16H10Cl2O3/c1-20-13-4-2-3-9-7-14(21-16(9)13)15(19)11-6-5-10(17)8-12(11)18/h2-8H,1H3
InChIKeyTTZHNZWZIFPVHY-UHFFFAOYSA-N
XLogP4.98
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(7-chloro-1-benzofuran-2-yl)-(4-chloro-2-methoxyphenyl)methanone
CID 115810736
(7-chloro-1-benzofuran-2-yl)-(5-chloro-2-methoxyphenyl)methanone
CID 115810745
(2-chloro-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 106865191
(5-chloro-7-methoxy-1-benzofuran-2-yl)-(3-chlorophenyl)methanone
CID 104666670
N,2-dichloro-5-(7-methoxy-1-benzofuran-2-carbonyl)benzenesulfonamide
CID 88797719
1-(7-methoxy-1-benzofuran-2-yl)propan-1-one
CID 65427049
3-(4-chlorophenyl)-1-(7-methoxy-1-benzofuran-2-yl)prop-2-en-1-one;hydrochloride
CID 70634731
N-(3-chloro-2-methylphenyl)-7-methoxy-1-benzofuran-2-carboxamide
CID 78869079
(2,3-dichlorophenyl)-[4-(7-methoxy-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone
CID 78892364
7-methoxy-N-methyl-1-benzofuran-2-carboxamide
CID 53281820
(4-bromo-2-methoxyphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115810045
(3-bromo-4-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 115810874

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(7-methoxy-1-benzofuran-2-yl)methanone?
The IUPAC name of (2,4-dichlorophenyl)-(7-methoxy-1-benzofuran-2-yl)methanone (CID 1480056) is (2,4-dichlorophenyl)-(7-methoxy-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-(7-methoxy-1-benzofuran-2-yl)methanone?
The canonical SMILES for (2,4-dichlorophenyl)-(7-methoxy-1-benzofuran-2-yl)methanone is COc1cccc2cc(C(=O)c3ccc(Cl)cc3Cl)oc12.
What is the InChIKey of (2,4-dichlorophenyl)-(7-methoxy-1-benzofuran-2-yl)methanone?
The InChIKey is TTZHNZWZIFPVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2O3/c1-20-13-4-2-3-9-7-14(21-16(9)13)15(19)11-6-5-10(17)8-12(11)18/h2-8H,1H3.
What are the key properties of (2,4-dichlorophenyl)-(7-methoxy-1-benzofuran-2-yl)methanone?
(2,4-dichlorophenyl)-(7-methoxy-1-benzofuran-2-yl)methanone has a molecular weight of 321.16 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-(7-methoxy-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 1480056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).