2,3-dihydro-1-benzofuran-7-yl-(2,5-dimethylphenyl)methanol

C17H18O2 — CID 114743334

IUPAC2,3-dihydro-1-benzofuran-7-yl-(2,5-dimethylphenyl)methanol
SMILESCc1ccc(C)c(C(O)c2cccc3c2OCC3)c1
InChIInChI=1S/C17H18O2/c1-11-6-7-12(2)15(10-11)16(18)14-5-3-4-13-8-9-19-17(13)14/h3-7,10,16,18H,8-9H2,1-2H3
InChIKeyMTUAJDLAVSLCBO-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.32
Rot. Bonds2

About 2,3-dihydro-1-benzofuran-7-yl-(2,5-dimethylphenyl)methanol

2,3-dihydro-1-benzofuran-7-yl-(2,5-dimethylphenyl)methanol (PubChem CID 114743334) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-7-yl-(2,5-dimethylphenyl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-7-yl-(2,5-dimethylphenyl)methanol
PubChem CID114743334
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name2,3-dihydro-1-benzofuran-7-yl-(2,5-dimethylphenyl)methanol
SMILESCc1ccc(C)c(C(O)c2cccc3c2OCC3)c1
InChIInChI=1S/C17H18O2/c1-11-6-7-12(2)15(10-11)16(18)14-5-3-4-13-8-9-19-17(13)14/h3-7,10,16,18H,8-9H2,1-2H3
InChIKeyMTUAJDLAVSLCBO-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

3,4-dihydro-2H-chromen-8-yl-(2-methylphenyl)methanol
CID 114743328
2,3-dihydro-1-benzofuran-7-yl-(3-methyl-4-pyridinyl)methanol
CID 114744728
2,3-dihydro-1-benzofuran-7-yl-(2-iodophenyl)methanol
CID 115838946
(3-chloro-5-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol
CID 115838948
1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 68614116
(2-chlorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol
CID 114743289
2,3-dihydro-1-benzofuran-7-yl(naphthalen-1-yl)methanol
CID 114743291
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(5-bromo-2-methylphenyl)methanol
CID 104543001
2,3-dihydro-1-benzofuran-7-yl-(2-methoxy-5-methylphenyl)methanamine
CID 105053233
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-methylphenyl)methanol
CID 104542859
2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-4-methylphenyl)methanamine
CID 105053341
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-methylphenyl)ethanamine
CID 114745163

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-7-yl-(2,5-dimethylphenyl)methanol?
The IUPAC name of 2,3-dihydro-1-benzofuran-7-yl-(2,5-dimethylphenyl)methanol (CID 114743334) is 2,3-dihydro-1-benzofuran-7-yl-(2,5-dimethylphenyl)methanol.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-7-yl-(2,5-dimethylphenyl)methanol?
The canonical SMILES for 2,3-dihydro-1-benzofuran-7-yl-(2,5-dimethylphenyl)methanol is Cc1ccc(C)c(C(O)c2cccc3c2OCC3)c1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-7-yl-(2,5-dimethylphenyl)methanol?
The InChIKey is MTUAJDLAVSLCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-11-6-7-12(2)15(10-11)16(18)14-5-3-4-13-8-9-19-17(13)14/h3-7,10,16,18H,8-9H2,1-2H3.
What are the key properties of 2,3-dihydro-1-benzofuran-7-yl-(2,5-dimethylphenyl)methanol?
2,3-dihydro-1-benzofuran-7-yl-(2,5-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-7-yl-(2,5-dimethylphenyl)methanol is sourced from PubChem (CID 114743334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).