2-(7-chloro-1-benzofuran-2-yl)-1,1-dimethoxypropan-2-ol

C13H15ClO4 — CID 114724129

IUPAC2-(7-chloro-1-benzofuran-2-yl)-1,1-dimethoxypropan-2-ol
SMILESCOC(OC)C(C)(O)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C13H15ClO4/c1-13(15,12(16-2)17-3)10-7-8-5-4-6-9(14)11(8)18-10/h4-7,12,15H,1-3H3
InChIKeySCBVHRGNNLAQTP-UHFFFAOYSA-N
MW270.71 g/mol
LogP2.91
Rot. Bonds4

About 2-(7-chloro-1-benzofuran-2-yl)-1,1-dimethoxypropan-2-ol

2-(7-chloro-1-benzofuran-2-yl)-1,1-dimethoxypropan-2-ol (PubChem CID 114724129) has the molecular formula C13H15ClO4 and a molecular weight of 270.71 g/mol. Its IUPAC name is 2-(7-chloro-1-benzofuran-2-yl)-1,1-dimethoxypropan-2-ol.

Molecular Properties

Compound Name2-(7-chloro-1-benzofuran-2-yl)-1,1-dimethoxypropan-2-ol
PubChem CID114724129
Molecular FormulaC13H15ClO4
Molecular Weight270.71 g/mol
Exact Mass270.07
IUPAC Name2-(7-chloro-1-benzofuran-2-yl)-1,1-dimethoxypropan-2-ol
SMILESCOC(OC)C(C)(O)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C13H15ClO4/c1-13(15,12(16-2)17-3)10-7-8-5-4-6-9(14)11(8)18-10/h4-7,12,15H,1-3H3
InChIKeySCBVHRGNNLAQTP-UHFFFAOYSA-N
XLogP2.91
TPSA51.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.71
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(7-chloro-1-benzofuran-2-yl)-3-methylbutanoic acid
CID 114735357
1-(7-chloro-1-benzofuran-2-yl)-2-methoxy-3,3-dimethylbutan-1-amine
CID 114731255
2-(2,3-dichlorophenyl)-1,1-dimethoxypropan-2-ol
CID 66037184
1-(7-chloro-1-benzofuran-2-yl)-2-methoxypropan-1-amine
CID 114729864
1-(2-chlorophenyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanol
CID 114723008
1-(7-chloro-1-benzofuran-2-yl)-3-methoxybutan-1-one
CID 114726061
1-(7-chloro-1-benzofuran-2-yl)-2-methylpropan-1-ol
CID 65426322
2-tert-butyl-1-benzofuran-7-ol
CID 167376192
(7-chloro-1-benzofuran-2-yl)-(2-methoxyphenyl)methanol
CID 114723264
1-(7-chloro-1-benzofuran-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine
CID 114731165
propan-2-yl 7-chloro-1-benzofuran-2-carboxylate
CID 135394390
1-(7-chloro-1-benzofuran-2-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 105186934

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1-benzofuran-2-yl)-1,1-dimethoxypropan-2-ol?
The IUPAC name of 2-(7-chloro-1-benzofuran-2-yl)-1,1-dimethoxypropan-2-ol (CID 114724129) is 2-(7-chloro-1-benzofuran-2-yl)-1,1-dimethoxypropan-2-ol.
What is the SMILES notation for 2-(7-chloro-1-benzofuran-2-yl)-1,1-dimethoxypropan-2-ol?
The canonical SMILES for 2-(7-chloro-1-benzofuran-2-yl)-1,1-dimethoxypropan-2-ol is COC(OC)C(C)(O)c1cc2cccc(Cl)c2o1.
What is the InChIKey of 2-(7-chloro-1-benzofuran-2-yl)-1,1-dimethoxypropan-2-ol?
The InChIKey is SCBVHRGNNLAQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO4/c1-13(15,12(16-2)17-3)10-7-8-5-4-6-9(14)11(8)18-10/h4-7,12,15H,1-3H3.
What are the key properties of 2-(7-chloro-1-benzofuran-2-yl)-1,1-dimethoxypropan-2-ol?
2-(7-chloro-1-benzofuran-2-yl)-1,1-dimethoxypropan-2-ol has a molecular weight of 270.71 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1-benzofuran-2-yl)-1,1-dimethoxypropan-2-ol is sourced from PubChem (CID 114724129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).