(3,4-dichlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone

C16H10Cl2O3 — CID 2797612

IUPAC(3,4-dichlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone
SMILESCOc1ccc2oc(C(=O)c3ccc(Cl)c(Cl)c3)cc2c1
InChIInChI=1S/C16H10Cl2O3/c1-20-11-3-5-14-10(6-11)8-15(21-14)16(19)9-2-4-12(17)13(18)7-9/h2-8H,1H3
InChIKeyUNUZDMFTRRKVLC-UHFFFAOYSA-N
MW321.16 g/mol
LogP4.98
Rot. Bonds3

About (3,4-dichlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone

(3,4-dichlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone (PubChem CID 2797612) has the molecular formula C16H10Cl2O3 and a molecular weight of 321.16 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone
PubChem CID2797612
Molecular FormulaC16H10Cl2O3
Molecular Weight321.16 g/mol
Exact Mass320.00
IUPAC Name(3,4-dichlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone
SMILESCOc1ccc2oc(C(=O)c3ccc(Cl)c(Cl)c3)cc2c1
InChIInChI=1S/C16H10Cl2O3/c1-20-11-3-5-14-10(6-11)8-15(21-14)16(19)9-2-4-12(17)13(18)7-9/h2-8H,1H3
InChIKeyUNUZDMFTRRKVLC-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

(4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone
CID 2797594
(3,4-dichlorophenyl)-(6-methoxynaphthalen-2-yl)methanone
CID 146007325
(3,4-dichlorophenyl)-(4-methoxyphenyl)methanone
CID 2758123
methyl 2-(4-methoxybenzoyl)-1-benzofuran-5-carboxylate
CID 170871861
2-chloro-5-(6-methoxy-1-benzofuran-2-carbonyl)benzenesulfonamide
CID 21316621
(4-methoxy-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 105084721
(3,4-dichlorophenyl)-(5-methylfuro[3,2-b]pyridin-2-yl)methanone
CID 78929568
(4-methoxyphenyl)-(5-nitro-1-benzofuran-2-yl)methanone
CID 2728228
(5-fluoro-1-benzofuran-2-yl)-(3-methoxyphenyl)methanone
CID 115766377
(5-chloro-1-benzofuran-2-yl)-(4-chloro-3-fluorophenyl)methanone
CID 107996739
5-methoxy-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 51432206
(3,4-dichlorophenyl)-(5-methylfuran-2-yl)methanone
CID 43463771

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone?
The IUPAC name of (3,4-dichlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone (CID 2797612) is (3,4-dichlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone?
The canonical SMILES for (3,4-dichlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone is COc1ccc2oc(C(=O)c3ccc(Cl)c(Cl)c3)cc2c1.
What is the InChIKey of (3,4-dichlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone?
The InChIKey is UNUZDMFTRRKVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2O3/c1-20-11-3-5-14-10(6-11)8-15(21-14)16(19)9-2-4-12(17)13(18)7-9/h2-8H,1H3.
What are the key properties of (3,4-dichlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone?
(3,4-dichlorophenyl)-(5-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 (3,4-dichlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 2797612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).