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

C17H18O2 — CID 61100428

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methylphenyl)ethanol
SMILESCc1ccccc1CC(O)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H18O2/c1-12-4-2-3-5-13(12)11-16(18)14-6-7-17-15(10-14)8-9-19-17/h2-7,10,16,18H,8-9,11H2,1H3
InChIKeyMYLPDRKDTMGWDG-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.21
Rot. Bonds3

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

1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methylphenyl)ethanol (PubChem CID 61100428) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methylphenyl)ethanol
PubChem CID61100428
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methylphenyl)ethanol
SMILESCc1ccccc1CC(O)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H18O2/c1-12-4-2-3-5-13(12)11-16(18)14-6-7-17-15(10-14)8-9-19-17/h2-7,10,16,18H,8-9,11H2,1H3
InChIKeyMYLPDRKDTMGWDG-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylphenyl)ethanol
CID 61088239
2-(2,3-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 107307473
2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 103047606
1-(2,3-dihydro-1-benzofuran-5-yl)hexan-1-ol
CID 61099251
2,3-dihydro-1-benzofuran-5-yl-(2,6-dimethylphenyl)methanol
CID 104542171
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(furan-2-yl)ethanol
CID 83171228
1-(2,3-dihydro-1-benzofuran-5-yl)butan-1-ol
CID 61100081
2-(3-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 62505676
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxyethanol
CID 79567949
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-methyl-2-pyridinyl)ethanol
CID 66461322
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-methylphenyl)propan-1-ol
CID 105125289
2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 65327998

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methylphenyl)ethanol?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methylphenyl)ethanol (CID 61100428) is 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methylphenyl)ethanol.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methylphenyl)ethanol?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methylphenyl)ethanol is Cc1ccccc1CC(O)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methylphenyl)ethanol?
The InChIKey is MYLPDRKDTMGWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-12-4-2-3-5-13(12)11-16(18)14-6-7-17-15(10-14)8-9-19-17/h2-7,10,16,18H,8-9,11H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methylphenyl)ethanol?
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methylphenyl)ethanol has a molecular weight of 254.33 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methylphenyl)ethanol is sourced from PubChem (CID 61100428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).