1-chloropentane;2,3-dihydro-1-benzofuran

C13H19ClO — CID 175276698

IUPAC1-chloropentane;2,3-dihydro-1-benzofuran
SMILESCCCCCCl.c1ccc2c(c1)CCO2
InChIInChI=1S/C8H8O.C5H11Cl/c1-2-4-8-7(3-1)5-6-9-8;1-2-3-4-5-6/h1-4H,5-6H2;2-5H2,1H3
InChIKeyYDQAVVNPMHECQQ-UHFFFAOYSA-N
MW226.75 g/mol
LogP4.04
Rot. Bonds3

About 1-chloropentane;2,3-dihydro-1-benzofuran

1-chloropentane;2,3-dihydro-1-benzofuran (PubChem CID 175276698) has the molecular formula C13H19ClO and a molecular weight of 226.75 g/mol. Its IUPAC name is 1-chloropentane;2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name1-chloropentane;2,3-dihydro-1-benzofuran
PubChem CID175276698
Molecular FormulaC13H19ClO
Molecular Weight226.75 g/mol
Exact Mass226.11
IUPAC Name1-chloropentane;2,3-dihydro-1-benzofuran
SMILESCCCCCCl.c1ccc2c(c1)CCO2
InChIInChI=1S/C8H8O.C5H11Cl/c1-2-4-8-7(3-1)5-6-9-8;1-2-3-4-5-6/h1-4H,5-6H2;2-5H2,1H3
InChIKeyYDQAVVNPMHECQQ-UHFFFAOYSA-N
XLogP4.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydro-1-benzofuran;ethane;propane
CID 91022099
2,3-dihydro-1-benzofuran;ethane
CID 54441538
bromomethane;2,3-dihydro-1-benzofuran
CID 69259048
CID 163793293
CID 163793293
2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;bis(2-methylpropane)
CID 157163368
1,3-benzodioxole;2,3-dihydro-1-benzofuran;bis(2-methylpropane)
CID 158598846
3,4-dihydro-2H-chromene;ethane
CID 91076984
3,4-dihydro-2H-chromene;N,N-dimethylmethanamine
CID 174740760
deuterium monohydride;2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;ethane;ethene;methane
CID 162269581
2,3-dihydro-1-benzofuran;bis(3,4-dihydro-2H-chromene);2,3-dihydro-1H-indene;ethane;pentakis(2-methylpropane);1,2,3,4-tetrahydronaphthalene
CID 158647803
6-(2-chloroethyl)-2,3-dihydro-1-benzofuran
CID 130750027
5-(1-chloropentyl)-2,3-dihydro-1-benzofuran
CID 61086357

Frequently Asked Questions

What is the IUPAC name of 1-chloropentane;2,3-dihydro-1-benzofuran?
The IUPAC name of 1-chloropentane;2,3-dihydro-1-benzofuran (CID 175276698) is 1-chloropentane;2,3-dihydro-1-benzofuran.
What is the SMILES notation for 1-chloropentane;2,3-dihydro-1-benzofuran?
The canonical SMILES for 1-chloropentane;2,3-dihydro-1-benzofuran is CCCCCCl.c1ccc2c(c1)CCO2.
What is the InChIKey of 1-chloropentane;2,3-dihydro-1-benzofuran?
The InChIKey is YDQAVVNPMHECQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O.C5H11Cl/c1-2-4-8-7(3-1)5-6-9-8;1-2-3-4-5-6/h1-4H,5-6H2;2-5H2,1H3.
What are the key properties of 1-chloropentane;2,3-dihydro-1-benzofuran?
1-chloropentane;2,3-dihydro-1-benzofuran has a molecular weight of 226.75 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropentane;2,3-dihydro-1-benzofuran is sourced from PubChem (CID 175276698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).