1-(4-chloro-7-methoxy-1-benzofuran-5-yl)propan-2-ol

C12H13ClO3 — CID 117354020

IUPAC1-(4-chloro-7-methoxy-1-benzofuran-5-yl)propan-2-ol
SMILESCOc1cc(CC(C)O)c(Cl)c2ccoc12
InChIInChI=1S/C12H13ClO3/c1-7(14)5-8-6-10(15-2)12-9(11(8)13)3-4-16-12/h3-4,6-7,14H,5H2,1-2H3
InChIKeyRQQJPCNSSYLMPE-UHFFFAOYSA-N
MW240.69 g/mol
LogP3.02
Rot. Bonds3

About 1-(4-chloro-7-methoxy-1-benzofuran-5-yl)propan-2-ol

1-(4-chloro-7-methoxy-1-benzofuran-5-yl)propan-2-ol (PubChem CID 117354020) has the molecular formula C12H13ClO3 and a molecular weight of 240.69 g/mol. Its IUPAC name is 1-(4-chloro-7-methoxy-1-benzofuran-5-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-chloro-7-methoxy-1-benzofuran-5-yl)propan-2-ol
PubChem CID117354020
Molecular FormulaC12H13ClO3
Molecular Weight240.69 g/mol
Exact Mass240.06
IUPAC Name1-(4-chloro-7-methoxy-1-benzofuran-5-yl)propan-2-ol
SMILESCOc1cc(CC(C)O)c(Cl)c2ccoc12
InChIInChI=1S/C12H13ClO3/c1-7(14)5-8-6-10(15-2)12-9(11(8)13)3-4-16-12/h3-4,6-7,14H,5H2,1-2H3
InChIKeyRQQJPCNSSYLMPE-UHFFFAOYSA-N
XLogP3.02
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-7-methoxy-1-benzofuran-5-carboxylic acid
CID 117325855
2-amino-1-(4-chloro-7-methoxy-1-benzofuran-5-yl)ethanone
CID 117351723
2-amino-2-(4-chloro-7-methoxy-1-benzofuran-5-yl)acetic acid
CID 117392007
1-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol
CID 117374936
3-[(4-chloro-7-methoxy-1-benzofuran-5-yl)methyl]piperidine
CID 117448942
3-(4-chloro-7-methoxy-1-benzofuran-5-yl)-3-methylbutanoic acid
CID 117454306
1-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-2-ol
CID 117358761
1-(7-methoxy-1-benzofuran-4-yl)propan-2-amine
CID 117293594
2-[1-(4-chloro-7-methoxy-1-benzofuran-5-yl)cyclopropyl]acetic acid
CID 117450627
1-(4-chloro-7-methoxy-1-benzofuran-5-yl)cyclopropane-1-carboxylic acid
CID 117420629
1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]propan-2-ol
CID 117328887
1-(5-chloro-2-methoxy-4-methylphenyl)propan-2-ol
CID 117306080

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-7-methoxy-1-benzofuran-5-yl)propan-2-ol?
The IUPAC name of 1-(4-chloro-7-methoxy-1-benzofuran-5-yl)propan-2-ol (CID 117354020) is 1-(4-chloro-7-methoxy-1-benzofuran-5-yl)propan-2-ol.
What is the SMILES notation for 1-(4-chloro-7-methoxy-1-benzofuran-5-yl)propan-2-ol?
The canonical SMILES for 1-(4-chloro-7-methoxy-1-benzofuran-5-yl)propan-2-ol is COc1cc(CC(C)O)c(Cl)c2ccoc12.
What is the InChIKey of 1-(4-chloro-7-methoxy-1-benzofuran-5-yl)propan-2-ol?
The InChIKey is RQQJPCNSSYLMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO3/c1-7(14)5-8-6-10(15-2)12-9(11(8)13)3-4-16-12/h3-4,6-7,14H,5H2,1-2H3.
What are the key properties of 1-(4-chloro-7-methoxy-1-benzofuran-5-yl)propan-2-ol?
1-(4-chloro-7-methoxy-1-benzofuran-5-yl)propan-2-ol has a molecular weight of 240.69 g/mol, XLogP of 3.02, 3 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-1-benzofuran-5-yl)propan-2-ol is sourced from PubChem (CID 117354020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).