2-(7-methoxy-1-benzofuran-3-yl)ethanol

C11H12O3 — CID 22662935

IUPAC2-(7-methoxy-1-benzofuran-3-yl)ethanol
SMILESCOc1cccc2c(CCO)coc12
InChIInChI=1S/C11H12O3/c1-13-10-4-2-3-9-8(5-6-12)7-14-11(9)10/h2-4,7,12H,5-6H2,1H3
InChIKeySXRKUSJWQIUZKN-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.98
Rot. Bonds3

About 2-(7-methoxy-1-benzofuran-3-yl)ethanol

2-(7-methoxy-1-benzofuran-3-yl)ethanol (PubChem CID 22662935) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 2-(7-methoxy-1-benzofuran-3-yl)ethanol.

Molecular Properties

Compound Name2-(7-methoxy-1-benzofuran-3-yl)ethanol
PubChem CID22662935
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name2-(7-methoxy-1-benzofuran-3-yl)ethanol
SMILESCOc1cccc2c(CCO)coc12
InChIInChI=1S/C11H12O3/c1-13-10-4-2-3-9-8(5-6-12)7-14-11(9)10/h2-4,7,12H,5-6H2,1H3
InChIKeySXRKUSJWQIUZKN-UHFFFAOYSA-N
XLogP1.98
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Khellin
CID 3828
Egonol
CID 485186
XH-14
CID 6709746
Ethanone, 1-(7-methoxy-2-benzofuranyl)-
CID 39378
6,7,8,9-Tetrahydro-2-dibenzofuranol
CID 121024
5-Methoxybenzofuran
CID 25943
3-Methyl-1-benzofuran-2-carboxylic acid
CID 600591
2-(8-Oxatricyclo(7.4.0.0,2,7)trideca-1(9),2,4,6-tetraen-4-yloxy)acetic acid
CID 2927343
Eupomatenoid 5
CID 6443783
karanjin [M+H]+
CID 11208566
Benzofuran-5-ol
CID 11651159
2-Benzofurancarboxylic acid, 5-methoxy-, ethyl ester
CID 521283

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-1-benzofuran-3-yl)ethanol?
The IUPAC name of 2-(7-methoxy-1-benzofuran-3-yl)ethanol (CID 22662935) is 2-(7-methoxy-1-benzofuran-3-yl)ethanol.
What is the SMILES notation for 2-(7-methoxy-1-benzofuran-3-yl)ethanol?
The canonical SMILES for 2-(7-methoxy-1-benzofuran-3-yl)ethanol is COc1cccc2c(CCO)coc12.
What is the InChIKey of 2-(7-methoxy-1-benzofuran-3-yl)ethanol?
The InChIKey is SXRKUSJWQIUZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-13-10-4-2-3-9-8(5-6-12)7-14-11(9)10/h2-4,7,12H,5-6H2,1H3.
What are the key properties of 2-(7-methoxy-1-benzofuran-3-yl)ethanol?
2-(7-methoxy-1-benzofuran-3-yl)ethanol has a molecular weight of 192.21 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-1-benzofuran-3-yl)ethanol is sourced from PubChem (CID 22662935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).