1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)ethanol

C12H13ClO3 — CID 117354046

IUPAC1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)ethanol
SMILESCOc1cc(C(C)O)c(Cl)c2cc(C)oc12
InChIInChI=1S/C12H13ClO3/c1-6-4-9-11(13)8(7(2)14)5-10(15-3)12(9)16-6/h4-5,7,14H,1-3H3
InChIKeyQZHLAIFEJWOJNK-UHFFFAOYSA-N
MW240.69 g/mol
LogP3.46
Rot. Bonds2

About 1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)ethanol

1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)ethanol (PubChem CID 117354046) has the molecular formula C12H13ClO3 and a molecular weight of 240.69 g/mol. Its IUPAC name is 1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)ethanol.

Molecular Properties

Compound Name1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)ethanol
PubChem CID117354046
Molecular FormulaC12H13ClO3
Molecular Weight240.69 g/mol
Exact Mass240.06
IUPAC Name1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)ethanol
SMILESCOc1cc(C(C)O)c(Cl)c2cc(C)oc12
InChIInChI=1S/C12H13ClO3/c1-6-4-9-11(13)8(7(2)14)5-10(15-3)12(9)16-6/h4-5,7,14H,1-3H3
InChIKeyQZHLAIFEJWOJNK-UHFFFAOYSA-N
XLogP3.46
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-2-hydroxyacetate
CID 117458145
1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-2-(methylamino)ethanol
CID 117427462
4-amino-4-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)butanoic acid
CID 117479325
N-[(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)methyl]hydroxylamine
CID 117356135
1-(3-chloro-2,4,5-trimethoxyphenyl)ethanol
CID 84705859
(1R)-1-(2,4,5-trimethoxyphenyl)ethanol
CID 163198569
[1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)cyclohexyl]methanamine
CID 117492783
5-chloro-7-methoxy-2-methyl-1-benzofuran
CID 135380056
1-(5-chloro-2-methoxy-4-methylphenyl)ethanol
CID 82265131
4-chloro-2-(1-hydroxyethyl)-5-methoxyphenol
CID 117291182
1-(4,5-dimethoxy-2-propan-2-ylphenyl)ethanol
CID 117322382
2-(4-bromo-7-methoxy-2-methyl-1-benzofuran-5-yl)acetic acid
CID 117481516

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)ethanol?
The IUPAC name of 1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)ethanol (CID 117354046) is 1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)ethanol.
What is the SMILES notation for 1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)ethanol?
The canonical SMILES for 1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)ethanol is COc1cc(C(C)O)c(Cl)c2cc(C)oc12.
What is the InChIKey of 1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)ethanol?
The InChIKey is QZHLAIFEJWOJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO3/c1-6-4-9-11(13)8(7(2)14)5-10(15-3)12(9)16-6/h4-5,7,14H,1-3H3.
What are the key properties of 1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)ethanol?
1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)ethanol has a molecular weight of 240.69 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)ethanol is sourced from PubChem (CID 117354046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).