5-[2-[2-(chloromethyl)-4-methylphenoxy]ethyl]-2,3-dihydro-1-benzofuran

C18H19ClO2 — CID 65447152

IUPAC5-[2-[2-(chloromethyl)-4-methylphenoxy]ethyl]-2,3-dihydro-1-benzofuran
SMILESCc1ccc(OCCc2ccc3c(c2)CCO3)c(CCl)c1
InChIInChI=1S/C18H19ClO2/c1-13-2-4-18(16(10-13)12-19)20-8-6-14-3-5-17-15(11-14)7-9-21-17/h2-5,10-11H,6-9,12H2,1H3
InChIKeyZPFQTRFPZNHKLR-UHFFFAOYSA-N
MW302.80 g/mol
LogP4.29
Rot. Bonds5

About 5-[2-[2-(chloromethyl)-4-methylphenoxy]ethyl]-2,3-dihydro-1-benzofuran

5-[2-[2-(chloromethyl)-4-methylphenoxy]ethyl]-2,3-dihydro-1-benzofuran (PubChem CID 65447152) has the molecular formula C18H19ClO2 and a molecular weight of 302.80 g/mol. Its IUPAC name is 5-[2-[2-(chloromethyl)-4-methylphenoxy]ethyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-[2-[2-(chloromethyl)-4-methylphenoxy]ethyl]-2,3-dihydro-1-benzofuran
PubChem CID65447152
Molecular FormulaC18H19ClO2
Molecular Weight302.80 g/mol
Exact Mass302.11
IUPAC Name5-[2-[2-(chloromethyl)-4-methylphenoxy]ethyl]-2,3-dihydro-1-benzofuran
SMILESCc1ccc(OCCc2ccc3c(c2)CCO3)c(CCl)c1
InChIInChI=1S/C18H19ClO2/c1-13-2-4-18(16(10-13)12-19)20-8-6-14-3-5-17-15(11-14)7-9-21-17/h2-5,10-11H,6-9,12H2,1H3
InChIKeyZPFQTRFPZNHKLR-UHFFFAOYSA-N
XLogP4.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-methylaniline
CID 65430830
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-methylbenzaldehyde
CID 65444666
1-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-N-methylmethanamine
CID 65429354
5-[2-(2-chlorophenoxy)ethyl]-2,3-dihydro-1-benzofuran
CID 65441677
5-[2-[4-bromo-2-(bromomethyl)phenoxy]ethyl]-2,3-dihydro-1-benzofuran
CID 65445258
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-4-methylaniline
CID 65430638
5-methyl-2,3-dihydro-1-benzofuran
CID 12725190
5-[2-(4-bromo-3,5-dimethylphenoxy)ethyl]-2,3-dihydro-1-benzofuran
CID 107723704
5-(chloromethyl)-2,3-dihydro-1-benzofuran
CID 11789614
4-bromo-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]aniline
CID 103009282
4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-3-fluorobenzaldehyde
CID 102670873
ethane;5-methyl-2,3-dihydro-1-benzofuran;propane
CID 145162253

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(chloromethyl)-4-methylphenoxy]ethyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-[2-[2-(chloromethyl)-4-methylphenoxy]ethyl]-2,3-dihydro-1-benzofuran (CID 65447152) is 5-[2-[2-(chloromethyl)-4-methylphenoxy]ethyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-[2-[2-(chloromethyl)-4-methylphenoxy]ethyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-[2-[2-(chloromethyl)-4-methylphenoxy]ethyl]-2,3-dihydro-1-benzofuran is Cc1ccc(OCCc2ccc3c(c2)CCO3)c(CCl)c1.
What is the InChIKey of 5-[2-[2-(chloromethyl)-4-methylphenoxy]ethyl]-2,3-dihydro-1-benzofuran?
The InChIKey is ZPFQTRFPZNHKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO2/c1-13-2-4-18(16(10-13)12-19)20-8-6-14-3-5-17-15(11-14)7-9-21-17/h2-5,10-11H,6-9,12H2,1H3.
What are the key properties of 5-[2-[2-(chloromethyl)-4-methylphenoxy]ethyl]-2,3-dihydro-1-benzofuran?
5-[2-[2-(chloromethyl)-4-methylphenoxy]ethyl]-2,3-dihydro-1-benzofuran has a molecular weight of 302.80 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(chloromethyl)-4-methylphenoxy]ethyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 65447152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).