2-[3-chloro-2-(4-methylphenyl)propyl]-2,3-dihydro-1-benzofuran

C18H19ClO — CID 79435863

IUPAC2-[3-chloro-2-(4-methylphenyl)propyl]-2,3-dihydro-1-benzofuran
SMILESCc1ccc(C(CCl)CC2Cc3ccccc3O2)cc1
InChIInChI=1S/C18H19ClO/c1-13-6-8-14(9-7-13)16(12-19)11-17-10-15-4-2-3-5-18(15)20-17/h2-9,16-17H,10-12H2,1H3
InChIKeyCYBGJZDQYOFXQU-UHFFFAOYSA-N
MW286.80 g/mol
LogP4.71
Rot. Bonds4

About 2-[3-chloro-2-(4-methylphenyl)propyl]-2,3-dihydro-1-benzofuran

2-[3-chloro-2-(4-methylphenyl)propyl]-2,3-dihydro-1-benzofuran (PubChem CID 79435863) has the molecular formula C18H19ClO and a molecular weight of 286.80 g/mol. Its IUPAC name is 2-[3-chloro-2-(4-methylphenyl)propyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2-[3-chloro-2-(4-methylphenyl)propyl]-2,3-dihydro-1-benzofuran
PubChem CID79435863
Molecular FormulaC18H19ClO
Molecular Weight286.80 g/mol
Exact Mass286.11
IUPAC Name2-[3-chloro-2-(4-methylphenyl)propyl]-2,3-dihydro-1-benzofuran
SMILESCc1ccc(C(CCl)CC2Cc3ccccc3O2)cc1
InChIInChI=1S/C18H19ClO/c1-13-6-8-14(9-7-13)16(12-19)11-17-10-15-4-2-3-5-18(15)20-17/h2-9,16-17H,10-12H2,1H3
InChIKeyCYBGJZDQYOFXQU-UHFFFAOYSA-N
XLogP4.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-(4-methylphenyl)propyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 2-[3-chloro-2-(4-methylphenyl)propyl]-2,3-dihydro-1-benzofuran (CID 79435863) is 2-[3-chloro-2-(4-methylphenyl)propyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2-[3-chloro-2-(4-methylphenyl)propyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2-[3-chloro-2-(4-methylphenyl)propyl]-2,3-dihydro-1-benzofuran is Cc1ccc(C(CCl)CC2Cc3ccccc3O2)cc1.
What is the InChIKey of 2-[3-chloro-2-(4-methylphenyl)propyl]-2,3-dihydro-1-benzofuran?
The InChIKey is CYBGJZDQYOFXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO/c1-13-6-8-14(9-7-13)16(12-19)11-17-10-15-4-2-3-5-18(15)20-17/h2-9,16-17H,10-12H2,1H3.
What are the key properties of 2-[3-chloro-2-(4-methylphenyl)propyl]-2,3-dihydro-1-benzofuran?
2-[3-chloro-2-(4-methylphenyl)propyl]-2,3-dihydro-1-benzofuran has a molecular weight of 286.80 g/mol, XLogP of 4.71, 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-(4-methylphenyl)propyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 79435863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).