(7-chloro-1-benzofuran-2-yl)-(4-chloro-2-methoxyphenyl)methanone

C16H10Cl2O3 — CID 115810736

IUPAC(7-chloro-1-benzofuran-2-yl)-(4-chloro-2-methoxyphenyl)methanone
SMILESCOc1cc(Cl)ccc1C(=O)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C16H10Cl2O3/c1-20-13-8-10(17)5-6-11(13)15(19)14-7-9-3-2-4-12(18)16(9)21-14/h2-8H,1H3
InChIKeyPZFRHNHUASVMNS-UHFFFAOYSA-N
MW321.16 g/mol
LogP4.98
Rot. Bonds3

About (7-chloro-1-benzofuran-2-yl)-(4-chloro-2-methoxyphenyl)methanone

(7-chloro-1-benzofuran-2-yl)-(4-chloro-2-methoxyphenyl)methanone (PubChem CID 115810736) has the molecular formula C16H10Cl2O3 and a molecular weight of 321.16 g/mol. Its IUPAC name is (7-chloro-1-benzofuran-2-yl)-(4-chloro-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(7-chloro-1-benzofuran-2-yl)-(4-chloro-2-methoxyphenyl)methanone
PubChem CID115810736
Molecular FormulaC16H10Cl2O3
Molecular Weight321.16 g/mol
Exact Mass320.00
IUPAC Name(7-chloro-1-benzofuran-2-yl)-(4-chloro-2-methoxyphenyl)methanone
SMILESCOc1cc(Cl)ccc1C(=O)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C16H10Cl2O3/c1-20-13-8-10(17)5-6-11(13)15(19)14-7-9-3-2-4-12(18)16(9)21-14/h2-8H,1H3
InChIKeyPZFRHNHUASVMNS-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)-(5-chloro-2-methoxyphenyl)methanone
CID 115810745
(2,4-dichlorophenyl)-(7-methoxy-1-benzofuran-2-yl)methanone
CID 1480056
(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
(2-amino-5-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 114737213
(5-chloro-7-methoxy-1-benzofuran-2-yl)-(3-chlorophenyl)methanone
CID 104666670
(7-chloro-1-benzofuran-2-yl)-(2,3-dimethylphenyl)methanone
CID 115810708
(7-chloro-1-benzofuran-2-yl)-(4-chloro-2,5-difluorophenyl)methanone
CID 115810891
(7-chloro-1-benzofuran-2-yl)-(3-chloro-2-fluorophenyl)methanone
CID 114725319
(7-chloro-1-benzofuran-2-yl)-(2-methylfuran-3-yl)methanone
CID 114726090
(7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanone
CID 114725112
(4-bromophenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 112614525

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1-benzofuran-2-yl)-(4-chloro-2-methoxyphenyl)methanone?
The IUPAC name of (7-chloro-1-benzofuran-2-yl)-(4-chloro-2-methoxyphenyl)methanone (CID 115810736) is (7-chloro-1-benzofuran-2-yl)-(4-chloro-2-methoxyphenyl)methanone.
What is the SMILES notation for (7-chloro-1-benzofuran-2-yl)-(4-chloro-2-methoxyphenyl)methanone?
The canonical SMILES for (7-chloro-1-benzofuran-2-yl)-(4-chloro-2-methoxyphenyl)methanone is COc1cc(Cl)ccc1C(=O)c1cc2cccc(Cl)c2o1.
What is the InChIKey of (7-chloro-1-benzofuran-2-yl)-(4-chloro-2-methoxyphenyl)methanone?
The InChIKey is PZFRHNHUASVMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2O3/c1-20-13-8-10(17)5-6-11(13)15(19)14-7-9-3-2-4-12(18)16(9)21-14/h2-8H,1H3.
What are the key properties of (7-chloro-1-benzofuran-2-yl)-(4-chloro-2-methoxyphenyl)methanone?
(7-chloro-1-benzofuran-2-yl)-(4-chloro-2-methoxyphenyl)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 (7-chloro-1-benzofuran-2-yl)-(4-chloro-2-methoxyphenyl)methanone is sourced from PubChem (CID 115810736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).