3-[(2,5-dimethylphenoxy)methyl]-2,3-dihydro-1-benzofuran

C17H18O2 — CID 81005013

IUPAC3-[(2,5-dimethylphenoxy)methyl]-2,3-dihydro-1-benzofuran
SMILESCc1ccc(C)c(OCC2COc3ccccc32)c1
InChIInChI=1S/C17H18O2/c1-12-7-8-13(2)17(9-12)19-11-14-10-18-16-6-4-3-5-15(14)16/h3-9,14H,10-11H2,1-2H3
InChIKeyCKGOFURDOYMUBK-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.86
Rot. Bonds3

About 3-[(2,5-dimethylphenoxy)methyl]-2,3-dihydro-1-benzofuran

3-[(2,5-dimethylphenoxy)methyl]-2,3-dihydro-1-benzofuran (PubChem CID 81005013) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenoxy)methyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name3-[(2,5-dimethylphenoxy)methyl]-2,3-dihydro-1-benzofuran
PubChem CID81005013
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name3-[(2,5-dimethylphenoxy)methyl]-2,3-dihydro-1-benzofuran
SMILESCc1ccc(C)c(OCC2COc3ccccc32)c1
InChIInChI=1S/C17H18O2/c1-12-7-8-13(2)17(9-12)19-11-14-10-18-16-6-4-3-5-15(14)16/h3-9,14H,10-11H2,1-2H3
InChIKeyCKGOFURDOYMUBK-UHFFFAOYSA-N
XLogP3.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-5-methylbenzoic acid
CID 79218339
3-[[4-(bromomethyl)-2,6-dimethylphenoxy]methyl]-2,3-dihydro-1-benzofuran
CID 79219231
3-[(2,5-dimethylphenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 79403230
3-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-4-methoxyaniline
CID 79226564
4-[(2-bromo-4-methylphenoxy)methyl]-3,4-dihydro-2H-chromene
CID 104768526
[3-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-6-methyl-2-pyridinyl]methanol
CID 79229392
1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-3-methylphenyl]-N-methylmethanamine
CID 115952258
3-[(2,5-dimethylphenoxy)methyl]oxetane
CID 116820130
1-[5-bromo-2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]ethanamine
CID 79218487
1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-4-fluorophenyl]ethanone
CID 79218922
(1R)-1-[5-chloro-2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]ethanamine
CID 79218495
O-(2,3-dihydro-1-benzofuran-3-ylmethyl)hydroxylamine
CID 79426928

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenoxy)methyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 3-[(2,5-dimethylphenoxy)methyl]-2,3-dihydro-1-benzofuran (CID 81005013) is 3-[(2,5-dimethylphenoxy)methyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 3-[(2,5-dimethylphenoxy)methyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 3-[(2,5-dimethylphenoxy)methyl]-2,3-dihydro-1-benzofuran is Cc1ccc(C)c(OCC2COc3ccccc32)c1.
What is the InChIKey of 3-[(2,5-dimethylphenoxy)methyl]-2,3-dihydro-1-benzofuran?
The InChIKey is CKGOFURDOYMUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-12-7-8-13(2)17(9-12)19-11-14-10-18-16-6-4-3-5-15(14)16/h3-9,14H,10-11H2,1-2H3.
What are the key properties of 3-[(2,5-dimethylphenoxy)methyl]-2,3-dihydro-1-benzofuran?
3-[(2,5-dimethylphenoxy)methyl]-2,3-dihydro-1-benzofuran has a molecular weight of 254.33 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylphenoxy)methyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 81005013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).