2-(3-chloro-2-methylpentyl)-2,3-dihydro-1-benzofuran

C14H19ClO — CID 66363434

IUPAC2-(3-chloro-2-methylpentyl)-2,3-dihydro-1-benzofuran
SMILESCCC(Cl)C(C)CC1Cc2ccccc2O1
InChIInChI=1S/C14H19ClO/c1-3-13(15)10(2)8-12-9-11-6-4-5-7-14(11)16-12/h4-7,10,12-13H,3,8-9H2,1-2H3
InChIKeyDPNRPQUXFSVJPX-UHFFFAOYSA-N
MW238.76 g/mol
LogP4.03
Rot. Bonds4

About 2-(3-chloro-2-methylpentyl)-2,3-dihydro-1-benzofuran

2-(3-chloro-2-methylpentyl)-2,3-dihydro-1-benzofuran (PubChem CID 66363434) has the molecular formula C14H19ClO and a molecular weight of 238.76 g/mol. Its IUPAC name is 2-(3-chloro-2-methylpentyl)-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2-(3-chloro-2-methylpentyl)-2,3-dihydro-1-benzofuran
PubChem CID66363434
Molecular FormulaC14H19ClO
Molecular Weight238.76 g/mol
Exact Mass238.11
IUPAC Name2-(3-chloro-2-methylpentyl)-2,3-dihydro-1-benzofuran
SMILESCCC(Cl)C(C)CC1Cc2ccccc2O1
InChIInChI=1S/C14H19ClO/c1-3-13(15)10(2)8-12-9-11-6-4-5-7-14(11)16-12/h4-7,10,12-13H,3,8-9H2,1-2H3
InChIKeyDPNRPQUXFSVJPX-UHFFFAOYSA-N
XLogP4.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbutan-2-ol
CID 66363239
1-(2,3-dihydro-1-benzofuran-2-yl)-N,2-dimethylpentan-3-amine
CID 66363030
2-[2-(chloromethyl)butyl]-2,3-dihydro-1-benzofuran
CID 66364657
3-(2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 66363440
[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl-ethylazanium
CID 7071467
3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentan-2-ol
CID 66363821
2-(4-chloroheptyl)-2,3-dihydro-1-benzofuran
CID 66363473
2-(methylsulfanylmethyl)-2,3-dihydro-1-benzofuran
CID 12872573
2-(2-chloroethyl)-2,3-dihydro-1-benzofuran
CID 141218488
2-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylpentan-1-amine
CID 106286562
1-(2,3-dihydro-1-benzofuran-2-yl)-N,N-dimethylmethanamine
CID 2842479
2-[(E)-but-2-enyl]-2,3-dihydro-1-benzofuran
CID 102067628

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylpentyl)-2,3-dihydro-1-benzofuran?
The IUPAC name of 2-(3-chloro-2-methylpentyl)-2,3-dihydro-1-benzofuran (CID 66363434) is 2-(3-chloro-2-methylpentyl)-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2-(3-chloro-2-methylpentyl)-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2-(3-chloro-2-methylpentyl)-2,3-dihydro-1-benzofuran is CCC(Cl)C(C)CC1Cc2ccccc2O1.
What is the InChIKey of 2-(3-chloro-2-methylpentyl)-2,3-dihydro-1-benzofuran?
The InChIKey is DPNRPQUXFSVJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO/c1-3-13(15)10(2)8-12-9-11-6-4-5-7-14(11)16-12/h4-7,10,12-13H,3,8-9H2,1-2H3.
What are the key properties of 2-(3-chloro-2-methylpentyl)-2,3-dihydro-1-benzofuran?
2-(3-chloro-2-methylpentyl)-2,3-dihydro-1-benzofuran has a molecular weight of 238.76 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methylpentyl)-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 66363434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).