2-(7-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)propan-1-ol

C13H17ClO2 — CID 117354119

IUPAC2-(7-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)propan-1-ol
SMILESCC(CO)c1cc(Cl)c2c(c1)CC(C)(C)O2
InChIInChI=1S/C13H17ClO2/c1-8(7-15)9-4-10-6-13(2,3)16-12(10)11(14)5-9/h4-5,8,15H,6-7H2,1-3H3
InChIKeyBZVAOZKJFXSXBB-UHFFFAOYSA-N
MW240.73 g/mol
LogP3.15
Rot. Bonds2

About 2-(7-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)propan-1-ol

2-(7-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)propan-1-ol (PubChem CID 117354119) has the molecular formula C13H17ClO2 and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-(7-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)propan-1-ol.

Molecular Properties

Compound Name2-(7-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)propan-1-ol
PubChem CID117354119
Molecular FormulaC13H17ClO2
Molecular Weight240.73 g/mol
Exact Mass240.09
IUPAC Name2-(7-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)propan-1-ol
SMILESCC(CO)c1cc(Cl)c2c(c1)CC(C)(C)O2
InChIInChI=1S/C13H17ClO2/c1-8(7-15)9-4-10-6-13(2,3)16-12(10)11(14)5-9/h4-5,8,15H,6-7H2,1-3H3
InChIKeyBZVAOZKJFXSXBB-UHFFFAOYSA-N
XLogP3.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-(7-bromo-2,2-dimethyl-3H-1-benzofuran-5-yl)ethanol
CID 84813640
3-(7-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)-3-methylbutanoic acid
CID 117454492
2-(3,5-dichlorophenyl)propan-1-ol
CID 130952476
(2R)-2-(3,4-dichlorophenyl)propan-1-ol
CID 97044410
7-bromo-5-chloro-2,2-dimethyl-3H-1-benzofuran
CID 15052932
3-(7-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)-1,2-oxazole-5-carboxylic acid
CID 117473796
1-(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)ethanone
CID 58294043
7-(2-bromoethyl)-5-chloro-2,2-dimethyl-3H-1-benzofuran
CID 175293076
4-(7-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)-1,2-oxazol-5-amine
CID 117416150
[5-(7-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117475477
2-(4-chloro-3,5-difluorophenyl)propan-1-ol
CID 117295346
N-[(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)methylidene]hydroxylamine
CID 87389172

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)propan-1-ol?
The IUPAC name of 2-(7-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)propan-1-ol (CID 117354119) is 2-(7-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)propan-1-ol.
What is the SMILES notation for 2-(7-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)propan-1-ol?
The canonical SMILES for 2-(7-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)propan-1-ol is CC(CO)c1cc(Cl)c2c(c1)CC(C)(C)O2.
What is the InChIKey of 2-(7-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)propan-1-ol?
The InChIKey is BZVAOZKJFXSXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO2/c1-8(7-15)9-4-10-6-13(2,3)16-12(10)11(14)5-9/h4-5,8,15H,6-7H2,1-3H3.
What are the key properties of 2-(7-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)propan-1-ol?
2-(7-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)propan-1-ol has a molecular weight of 240.73 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)propan-1-ol is sourced from PubChem (CID 117354119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).