2,3-dihydro-1-benzofuran-5-yl-(2,6-dimethylphenyl)methanol

C17H18O2 — CID 104542171

IUPAC2,3-dihydro-1-benzofuran-5-yl-(2,6-dimethylphenyl)methanol
SMILESCc1cccc(C)c1C(O)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H18O2/c1-11-4-3-5-12(2)16(11)17(18)14-6-7-15-13(10-14)8-9-19-15/h3-7,10,17-18H,8-9H2,1-2H3
InChIKeyYWNPCPADWYLWBD-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.32
Rot. Bonds2

About 2,3-dihydro-1-benzofuran-5-yl-(2,6-dimethylphenyl)methanol

2,3-dihydro-1-benzofuran-5-yl-(2,6-dimethylphenyl)methanol (PubChem CID 104542171) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-yl-(2,6-dimethylphenyl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-5-yl-(2,6-dimethylphenyl)methanol
PubChem CID104542171
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name2,3-dihydro-1-benzofuran-5-yl-(2,6-dimethylphenyl)methanol
SMILESCc1cccc(C)c1C(O)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H18O2/c1-11-4-3-5-12(2)16(11)17(18)14-6-7-15-13(10-14)8-9-19-15/h3-7,10,17-18H,8-9H2,1-2H3
InChIKeyYWNPCPADWYLWBD-UHFFFAOYSA-N
XLogP3.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1-benzofuran-5-yl-(2,4,6-trimethylphenyl)methanol
CID 61100080
2,3-dihydro-1-benzofuran-5-yl-(3-methylphenyl)methanol
CID 61100251
2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanol
CID 61099414
(2-bromo-6-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 114560436
(2-chloro-6-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 104817396
3,4-dihydro-2H-chromen-6-yl-(2-methylphenyl)methanol
CID 61080777
5-[bromo-(2-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 81477363
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methylphenyl)ethanol
CID 61100428
2,3-dihydro-1,4-benzodioxin-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 105125287
2,3-dihydro-1-benzofuran-5-yl-(3-propylphenyl)methanol
CID 116542515
(2,6-difluoro-3-methylphenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol
CID 82799951
(3,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61100429

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-(2,6-dimethylphenyl)methanol?
The IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-(2,6-dimethylphenyl)methanol (CID 104542171) is 2,3-dihydro-1-benzofuran-5-yl-(2,6-dimethylphenyl)methanol.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-yl-(2,6-dimethylphenyl)methanol?
The canonical SMILES for 2,3-dihydro-1-benzofuran-5-yl-(2,6-dimethylphenyl)methanol is Cc1cccc(C)c1C(O)c1ccc2c(c1)CCO2.
What is the InChIKey of 2,3-dihydro-1-benzofuran-5-yl-(2,6-dimethylphenyl)methanol?
The InChIKey is YWNPCPADWYLWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-11-4-3-5-12(2)16(11)17(18)14-6-7-15-13(10-14)8-9-19-15/h3-7,10,17-18H,8-9H2,1-2H3.
What are the key properties of 2,3-dihydro-1-benzofuran-5-yl-(2,6-dimethylphenyl)methanol?
2,3-dihydro-1-benzofuran-5-yl-(2,6-dimethylphenyl)methanol has a molecular weight of 254.33 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-5-yl-(2,6-dimethylphenyl)methanol is sourced from PubChem (CID 104542171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).