1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3-methylphenyl)ethanol

C17H18O2 — CID 63021652

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3-methylphenyl)ethanol
SMILESCc1cccc(CC(O)c2ccc3c(c2)COC3)c1
InChIInChI=1S/C17H18O2/c1-12-3-2-4-13(7-12)8-17(18)14-5-6-15-10-19-11-16(15)9-14/h2-7,9,17-18H,8,10-11H2,1H3
InChIKeyGTGBVWUCIIWFNP-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.30
Rot. Bonds3

About 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3-methylphenyl)ethanol

1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3-methylphenyl)ethanol (PubChem CID 63021652) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3-methylphenyl)ethanol
PubChem CID63021652
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3-methylphenyl)ethanol
SMILESCc1cccc(CC(O)c2ccc3c(c2)COC3)c1
InChIInChI=1S/C17H18O2/c1-12-3-2-4-13(7-12)8-17(18)14-5-6-15-10-19-11-16(15)9-14/h2-7,9,17-18H,8,10-11H2,1H3
InChIKeyGTGBVWUCIIWFNP-UHFFFAOYSA-N
XLogP3.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,3-dihydro-2-benzofuran-5-yl)-3-methylbutan-1-ol
CID 63019372
1-(3-bromo-4-methylphenyl)-2-(3-methylphenyl)ethanol
CID 81488822
2-(2-chloro-6-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol
CID 63019201
1-(4-methoxyphenyl)-2-(3-methylphenyl)ethanol
CID 60798818
2-(3-methylphenyl)-1-(2-methyl-4-pyridinyl)ethanol
CID 106756085
1-(4-cyclobutylphenyl)-2-(3-methylphenyl)ethanol
CID 116505746
[1-(2,3-dihydro-1H-inden-5-yl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105285057
2-(3-methylphenyl)-1-pyrimidin-5-ylethanol
CID 62491693
5-[1-bromo-2-(4-methylphenyl)ethyl]-1,3-dihydro-2-benzofuran
CID 55143866
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3-methoxyphenyl)ethanamine
CID 63021274
2-(3-chlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 62503763
2-(4-chloro-2-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol
CID 115839714

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3-methylphenyl)ethanol?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3-methylphenyl)ethanol (CID 63021652) is 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3-methylphenyl)ethanol.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3-methylphenyl)ethanol?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3-methylphenyl)ethanol is Cc1cccc(CC(O)c2ccc3c(c2)COC3)c1.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3-methylphenyl)ethanol?
The InChIKey is GTGBVWUCIIWFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-12-3-2-4-13(7-12)8-17(18)14-5-6-15-10-19-11-16(15)9-14/h2-7,9,17-18H,8,10-11H2,1H3.
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3-methylphenyl)ethanol?
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3-methylphenyl)ethanol has a molecular weight of 254.33 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3-methylphenyl)ethanol is sourced from PubChem (CID 63021652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).