5-chloro-7-methoxy-2-methyl-1-benzofuran

C10H9ClO2 — CID 135380056

IUPAC5-chloro-7-methoxy-2-methyl-1-benzofuran
SMILESCOc1cc(Cl)cc2cc(C)oc12
InChIInChI=1S/C10H9ClO2/c1-6-3-7-4-8(11)5-9(12-2)10(7)13-6/h3-5H,1-2H3
InChIKeyWDENHNRHYCRBFT-UHFFFAOYSA-N
MW196.63 g/mol
LogP3.40
Rot. Bonds1

About 5-chloro-7-methoxy-2-methyl-1-benzofuran

5-chloro-7-methoxy-2-methyl-1-benzofuran (PubChem CID 135380056) has the molecular formula C10H9ClO2 and a molecular weight of 196.63 g/mol. Its IUPAC name is 5-chloro-7-methoxy-2-methyl-1-benzofuran.

Molecular Properties

Compound Name5-chloro-7-methoxy-2-methyl-1-benzofuran
PubChem CID135380056
Molecular FormulaC10H9ClO2
Molecular Weight196.63 g/mol
Exact Mass196.03
IUPAC Name5-chloro-7-methoxy-2-methyl-1-benzofuran
SMILESCOc1cc(Cl)cc2cc(C)oc12
InChIInChI=1S/C10H9ClO2/c1-6-3-7-4-8(11)5-9(12-2)10(7)13-6/h3-5H,1-2H3
InChIKeyWDENHNRHYCRBFT-UHFFFAOYSA-N
XLogP3.40
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.63
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethanone, 1-(7-methoxy-2-benzofuranyl)-
CID 39378
1-(7-Ethoxy-1-benzofuran-2-yl)ethan-1-one
CID 3868801
4,6-Dimethoxydibenzofuran
CID 458263
7-Methoxybenzofuran
CID 590462
1-(5-Chloro-1-benzofuran-2-yl)ethan-1-one
CID 2807014
Methyl 7-methoxy-1-benzofuran-2-carboxylate
CID 12269509
5-Chloro-1-benzofuran-2-carbaldehyde
CID 13400170
Ethyl 5-chlorobenzofuran-2-carboxylate
CID 2799299
Ethyl 5-chloro-3-methylbenzofuran-2-carboxylate
CID 15643819
5-Chloro-2-(3,4-dimethoxyphenyl)-1-benzofuran
CID 134142902
1-(4-Chlorophenyl)-1-(7-methoxy-1-benzofuran-2-yl)ethan-1-ol
CID 54837
2-Benzofuranmethanol, alpha-(4-chlorophenyl)-7-methoxy-alpha-(phenylmethyl)-
CID 3067862

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-methoxy-2-methyl-1-benzofuran?
The IUPAC name of 5-chloro-7-methoxy-2-methyl-1-benzofuran (CID 135380056) is 5-chloro-7-methoxy-2-methyl-1-benzofuran.
What is the SMILES notation for 5-chloro-7-methoxy-2-methyl-1-benzofuran?
The canonical SMILES for 5-chloro-7-methoxy-2-methyl-1-benzofuran is COc1cc(Cl)cc2cc(C)oc12.
What is the InChIKey of 5-chloro-7-methoxy-2-methyl-1-benzofuran?
The InChIKey is WDENHNRHYCRBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO2/c1-6-3-7-4-8(11)5-9(12-2)10(7)13-6/h3-5H,1-2H3.
What are the key properties of 5-chloro-7-methoxy-2-methyl-1-benzofuran?
5-chloro-7-methoxy-2-methyl-1-benzofuran has a molecular weight of 196.63 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-methoxy-2-methyl-1-benzofuran is sourced from PubChem (CID 135380056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).