4-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)butan-1-ol

C12H15ClO2 — CID 114744598

IUPAC4-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)butan-1-ol
SMILESOC(CCCCl)c1cccc2c1OCC2
InChIInChI=1S/C12H15ClO2/c13-7-2-5-11(14)10-4-1-3-9-6-8-15-12(9)10/h1,3-4,11,14H,2,5-8H2
InChIKeyZZDOHEWQCCSOAX-UHFFFAOYSA-N
MW226.70 g/mol
LogP2.67
Rot. Bonds4

About 4-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)butan-1-ol

4-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)butan-1-ol (PubChem CID 114744598) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is 4-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)butan-1-ol.

Molecular Properties

Compound Name4-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)butan-1-ol
PubChem CID114744598
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name4-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)butan-1-ol
SMILESOC(CCCCl)c1cccc2c1OCC2
InChIInChI=1S/C12H15ClO2/c13-7-2-5-11(14)10-4-1-3-9-6-8-15-12(9)10/h1,3-4,11,14H,2,5-8H2
InChIKeyZZDOHEWQCCSOAX-UHFFFAOYSA-N
XLogP2.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.70
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dihydro-1-benzofuran-7-yl)-4-methylsulfanylbutan-1-ol
CID 103089875
2-amino-1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 102547105
2-(3-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 114744440
1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 68614116
1-(3,4-dihydro-2H-chromen-8-yl)-3-(dimethylamino)propan-1-ol
CID 114744719
(2-chlorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol
CID 114743289
2-(2,3-dihydro-1-benzofuran-7-yl)-2-fluoroethanamine
CID 114747694
1-(3,4-dihydro-2H-chromen-8-yl)-3-pyridin-2-ylpropan-1-ol
CID 105130678
2,3-dihydro-1-benzofuran-7-yl(naphthalen-1-yl)methanol
CID 114743291
2,3-dihydro-1-benzofuran-7-yl-(2-iodophenyl)methanol
CID 115838946
7-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89030364
2,3-dihydro-1-benzofuran-7-yl-(1-methylcyclopropyl)methanol
CID 114744695

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)butan-1-ol?
The IUPAC name of 4-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)butan-1-ol (CID 114744598) is 4-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)butan-1-ol.
What is the SMILES notation for 4-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)butan-1-ol?
The canonical SMILES for 4-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)butan-1-ol is OC(CCCCl)c1cccc2c1OCC2.
What is the InChIKey of 4-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)butan-1-ol?
The InChIKey is ZZDOHEWQCCSOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO2/c13-7-2-5-11(14)10-4-1-3-9-6-8-15-12(9)10/h1,3-4,11,14H,2,5-8H2.
What are the key properties of 4-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)butan-1-ol?
4-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)butan-1-ol has a molecular weight of 226.70 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)butan-1-ol is sourced from PubChem (CID 114744598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).