(6,7-dimethoxy-1-benzofuran-2-yl)-(3-methoxyphenyl)methanone

C18H16O5 — CID 155803415

IUPAC(6,7-dimethoxy-1-benzofuran-2-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2cc3ccc(OC)c(OC)c3o2)c1
InChIInChI=1S/C18H16O5/c1-20-13-6-4-5-11(9-13)16(19)15-10-12-7-8-14(21-2)18(22-3)17(12)23-15/h4-10H,1-3H3
InChIKeyIKJCIKDNOSJFQJ-UHFFFAOYSA-N
MW312.32 g/mol
LogP3.69
Rot. Bonds5

About (6,7-dimethoxy-1-benzofuran-2-yl)-(3-methoxyphenyl)methanone

(6,7-dimethoxy-1-benzofuran-2-yl)-(3-methoxyphenyl)methanone (PubChem CID 155803415) has the molecular formula C18H16O5 and a molecular weight of 312.32 g/mol. Its IUPAC name is (6,7-dimethoxy-1-benzofuran-2-yl)-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(6,7-dimethoxy-1-benzofuran-2-yl)-(3-methoxyphenyl)methanone
PubChem CID155803415
Molecular FormulaC18H16O5
Molecular Weight312.32 g/mol
Exact Mass312.10
IUPAC Name(6,7-dimethoxy-1-benzofuran-2-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2cc3ccc(OC)c(OC)c3o2)c1
InChIInChI=1S/C18H16O5/c1-20-13-6-4-5-11(9-13)16(19)15-10-12-7-8-14(21-2)18(22-3)17(12)23-15/h4-10H,1-3H3
InChIKeyIKJCIKDNOSJFQJ-UHFFFAOYSA-N
XLogP3.69
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 10902719
(5-fluoro-1-benzofuran-2-yl)-(3-methoxyphenyl)methanone
CID 115766377
7,8-dimethoxy-3-(4-methoxybenzoyl)chromen-2-one
CID 154947659
(6-methoxy-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 46226723
(4-methoxyphenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 54103779
(3-bromo-4-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 115810874
[6-(diethylamino)-1-benzofuran-2-yl]-(3-methoxyphenyl)methanone
CID 11551551
(5-chloro-7-methoxy-1-benzofuran-2-yl)-(3-chlorophenyl)methanone
CID 104666670
(3-bromo-4-methoxyphenyl)-(3-methoxyphenyl)methanone
CID 43161767
(2-methoxy-5-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 115957340
[5-(aminomethyl)furan-2-yl]-(3-methoxyphenyl)methanone
CID 82082014
[5-(chloromethyl)furan-2-yl]-(3-methoxyphenyl)methanone
CID 82087506

Frequently Asked Questions

What is the IUPAC name of (6,7-dimethoxy-1-benzofuran-2-yl)-(3-methoxyphenyl)methanone?
The IUPAC name of (6,7-dimethoxy-1-benzofuran-2-yl)-(3-methoxyphenyl)methanone (CID 155803415) is (6,7-dimethoxy-1-benzofuran-2-yl)-(3-methoxyphenyl)methanone.
What is the SMILES notation for (6,7-dimethoxy-1-benzofuran-2-yl)-(3-methoxyphenyl)methanone?
The canonical SMILES for (6,7-dimethoxy-1-benzofuran-2-yl)-(3-methoxyphenyl)methanone is COc1cccc(C(=O)c2cc3ccc(OC)c(OC)c3o2)c1.
What is the InChIKey of (6,7-dimethoxy-1-benzofuran-2-yl)-(3-methoxyphenyl)methanone?
The InChIKey is IKJCIKDNOSJFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O5/c1-20-13-6-4-5-11(9-13)16(19)15-10-12-7-8-14(21-2)18(22-3)17(12)23-15/h4-10H,1-3H3.
What are the key properties of (6,7-dimethoxy-1-benzofuran-2-yl)-(3-methoxyphenyl)methanone?
(6,7-dimethoxy-1-benzofuran-2-yl)-(3-methoxyphenyl)methanone has a molecular weight of 312.32 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dimethoxy-1-benzofuran-2-yl)-(3-methoxyphenyl)methanone is sourced from PubChem (CID 155803415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).