1-(5-chloro-2,3-dihydro-1-benzofuran-3-yl)-2-methylpropan-2-ol

C12H15ClO2 — CID 117201917

IUPAC1-(5-chloro-2,3-dihydro-1-benzofuran-3-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)CC1COc2ccc(Cl)cc21
InChIInChI=1S/C12H15ClO2/c1-12(2,14)6-8-7-15-11-4-3-9(13)5-10(8)11/h3-5,8,14H,6-7H2,1-2H3
InChIKeyLAZGSYFNISIFRI-UHFFFAOYSA-N
MW226.70 g/mol
LogP2.98
Rot. Bonds2

About 1-(5-chloro-2,3-dihydro-1-benzofuran-3-yl)-2-methylpropan-2-ol

1-(5-chloro-2,3-dihydro-1-benzofuran-3-yl)-2-methylpropan-2-ol (PubChem CID 117201917) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dihydro-1-benzofuran-3-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(5-chloro-2,3-dihydro-1-benzofuran-3-yl)-2-methylpropan-2-ol
PubChem CID117201917
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name1-(5-chloro-2,3-dihydro-1-benzofuran-3-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)CC1COc2ccc(Cl)cc21
InChIInChI=1S/C12H15ClO2/c1-12(2,14)6-8-7-15-11-4-3-9(13)5-10(8)11/h3-5,8,14H,6-7H2,1-2H3
InChIKeyLAZGSYFNISIFRI-UHFFFAOYSA-N
XLogP2.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.70
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-methylpropan-2-ol
CID 117199656
6-chloro-4-ethynyl-3-(2-fluoropropan-2-yl)-3,4-dihydro-2H-chromene
CID 10848455
(3R,4R)-4-amino-6-chloro-3,4-dihydro-2H-chromen-3-ol
CID 71517079
2-(6-chloro-2,3-dihydro-1-benzofuran-3-yl)acetic acid
CID 83754448
5-methoxy-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran
CID 134850979
5-chloro-2,3-dihydro-1-benzofuran-3-carbaldehyde
CID 117201907
2-(6-chloro-3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 82078156
3-[bis(2-hydroxyethyl)amino]-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 82186979
6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 15148408
6-chloro-4-(2,6-dimethylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol
CID 82188605
3-[2-(chloromethyl)-2-methylbutyl]-2,3-dihydro-1-benzofuran
CID 79220407
6-chloro-2,3-dihydro-1-benzofuran-3-ol
CID 59606807

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-3-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-3-yl)-2-methylpropan-2-ol (CID 117201917) is 1-(5-chloro-2,3-dihydro-1-benzofuran-3-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(5-chloro-2,3-dihydro-1-benzofuran-3-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(5-chloro-2,3-dihydro-1-benzofuran-3-yl)-2-methylpropan-2-ol is CC(C)(O)CC1COc2ccc(Cl)cc21.
What is the InChIKey of 1-(5-chloro-2,3-dihydro-1-benzofuran-3-yl)-2-methylpropan-2-ol?
The InChIKey is LAZGSYFNISIFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO2/c1-12(2,14)6-8-7-15-11-4-3-9(13)5-10(8)11/h3-5,8,14H,6-7H2,1-2H3.
What are the key properties of 1-(5-chloro-2,3-dihydro-1-benzofuran-3-yl)-2-methylpropan-2-ol?
1-(5-chloro-2,3-dihydro-1-benzofuran-3-yl)-2-methylpropan-2-ol has a molecular weight of 226.70 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,3-dihydro-1-benzofuran-3-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 117201917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).