1-(5-chloro-7-methyl-1-benzofuran-2-yl)-2-methylpropan-1-ol

C13H15ClO2 — CID 65426697

IUPAC1-(5-chloro-7-methyl-1-benzofuran-2-yl)-2-methylpropan-1-ol
SMILESCc1cc(Cl)cc2cc(C(O)C(C)C)oc12
InChIInChI=1S/C13H15ClO2/c1-7(2)12(15)11-6-9-5-10(14)4-8(3)13(9)16-11/h4-7,12,15H,1-3H3
InChIKeyWITDUSVTEMDMRS-UHFFFAOYSA-N
MW238.71 g/mol
LogP4.08
Rot. Bonds2

About 1-(5-chloro-7-methyl-1-benzofuran-2-yl)-2-methylpropan-1-ol

1-(5-chloro-7-methyl-1-benzofuran-2-yl)-2-methylpropan-1-ol (PubChem CID 65426697) has the molecular formula C13H15ClO2 and a molecular weight of 238.71 g/mol. Its IUPAC name is 1-(5-chloro-7-methyl-1-benzofuran-2-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(5-chloro-7-methyl-1-benzofuran-2-yl)-2-methylpropan-1-ol
PubChem CID65426697
Molecular FormulaC13H15ClO2
Molecular Weight238.71 g/mol
Exact Mass238.08
IUPAC Name1-(5-chloro-7-methyl-1-benzofuran-2-yl)-2-methylpropan-1-ol
SMILESCc1cc(Cl)cc2cc(C(O)C(C)C)oc12
InChIInChI=1S/C13H15ClO2/c1-7(2)12(15)11-6-9-5-10(14)4-8(3)13(9)16-11/h4-7,12,15H,1-3H3
InChIKeyWITDUSVTEMDMRS-UHFFFAOYSA-N
XLogP4.08
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.71
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-chloro-1-benzofuran-2-yl)-2-methylpropan-1-ol
CID 65426322
1-(5-chloro-7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65441138
N-[(5-chloro-7-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine
CID 65438893
1-(5,7-dichloro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 43149764
(5-chloro-7-methyl-1-benzofuran-2-yl)-cyclopropylmethanone
CID 65427632
1-(5-tert-butyl-7-methyl-1-benzofuran-2-yl)propan-1-ol
CID 65441075
1-(5,7-dimethyl-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine
CID 65440790
1-(5,7-dichloro-1-benzofuran-2-yl)-2-methyl-N-propylpropan-1-amine
CID 65439450
1-(7-methyl-1-benzofuran-2-yl)-2-methylsulfonylpropan-1-ol
CID 115836472
methyl 2-[(1S)-1-aminoethyl]-5-chloro-1-benzofuran-7-carboxylate
CID 164866482
(5,7-dichloro-1-benzofuran-2-yl)-(3,4-dimethylphenyl)methanamine
CID 43149767
1-(5-bromo-7-chloro-1-benzofuran-2-yl)ethanol
CID 65440694

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-7-methyl-1-benzofuran-2-yl)-2-methylpropan-1-ol?
The IUPAC name of 1-(5-chloro-7-methyl-1-benzofuran-2-yl)-2-methylpropan-1-ol (CID 65426697) is 1-(5-chloro-7-methyl-1-benzofuran-2-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 1-(5-chloro-7-methyl-1-benzofuran-2-yl)-2-methylpropan-1-ol?
The canonical SMILES for 1-(5-chloro-7-methyl-1-benzofuran-2-yl)-2-methylpropan-1-ol is Cc1cc(Cl)cc2cc(C(O)C(C)C)oc12.
What is the InChIKey of 1-(5-chloro-7-methyl-1-benzofuran-2-yl)-2-methylpropan-1-ol?
The InChIKey is WITDUSVTEMDMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO2/c1-7(2)12(15)11-6-9-5-10(14)4-8(3)13(9)16-11/h4-7,12,15H,1-3H3.
What are the key properties of 1-(5-chloro-7-methyl-1-benzofuran-2-yl)-2-methylpropan-1-ol?
1-(5-chloro-7-methyl-1-benzofuran-2-yl)-2-methylpropan-1-ol has a molecular weight of 238.71 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-7-methyl-1-benzofuran-2-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 65426697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).