1-(7-methyl-1-benzofuran-2-yl)-2-phenoxyethanol

C17H16O3 — CID 114726451

IUPAC1-(7-methyl-1-benzofuran-2-yl)-2-phenoxyethanol
SMILESCc1cccc2cc(C(O)COc3ccccc3)oc12
InChIInChI=1S/C17H16O3/c1-12-6-5-7-13-10-16(20-17(12)13)15(18)11-19-14-8-3-2-4-9-14/h2-10,15,18H,11H2,1H3
InChIKeyQLASEPALMKPAQJ-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.85
Rot. Bonds4

About 1-(7-methyl-1-benzofuran-2-yl)-2-phenoxyethanol

1-(7-methyl-1-benzofuran-2-yl)-2-phenoxyethanol (PubChem CID 114726451) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 1-(7-methyl-1-benzofuran-2-yl)-2-phenoxyethanol.

Molecular Properties

Compound Name1-(7-methyl-1-benzofuran-2-yl)-2-phenoxyethanol
PubChem CID114726451
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name1-(7-methyl-1-benzofuran-2-yl)-2-phenoxyethanol
SMILESCc1cccc2cc(C(O)COc3ccccc3)oc12
InChIInChI=1S/C17H16O3/c1-12-6-5-7-13-10-16(20-17(12)13)15(18)11-19-14-8-3-2-4-9-14/h2-10,15,18H,11H2,1H3
InChIKeyQLASEPALMKPAQJ-UHFFFAOYSA-N
XLogP3.85
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-methyl-1-benzofuran-2-yl)-2-phenoxyethanamine
CID 114728378
[1-(7-methyl-1-benzofuran-2-yl)-2-phenoxyethyl]hydrazine
CID 105212911
1-(7-methyl-1-benzofuran-2-yl)-3-phenoxypropan-1-amine
CID 114727504
2-(3-methoxyphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanol
CID 114726335
1-(7-methyl-1-benzofuran-2-yl)-4-phenylbutan-1-ol
CID 105129309
3-methoxy-3-methyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-ol
CID 103027711
3-(2,2-difluoroethoxy)-1-(7-methyl-1-benzofuran-2-yl)propan-1-ol
CID 103147842
(1S)-1-(7-methyl-1-benzofuran-2-yl)-2-nitroethanol
CID 132500627
(2-ethoxyphenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723269
2-(7-methyl-1-benzofuran-2-yl)butanoic acid
CID 82614755
3,5,5-trimethyl-1-(7-methyl-1-benzofuran-2-yl)hexan-1-ol
CID 115836469
1-benzofuran-2-yl-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723563

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-1-benzofuran-2-yl)-2-phenoxyethanol?
The IUPAC name of 1-(7-methyl-1-benzofuran-2-yl)-2-phenoxyethanol (CID 114726451) is 1-(7-methyl-1-benzofuran-2-yl)-2-phenoxyethanol.
What is the SMILES notation for 1-(7-methyl-1-benzofuran-2-yl)-2-phenoxyethanol?
The canonical SMILES for 1-(7-methyl-1-benzofuran-2-yl)-2-phenoxyethanol is Cc1cccc2cc(C(O)COc3ccccc3)oc12.
What is the InChIKey of 1-(7-methyl-1-benzofuran-2-yl)-2-phenoxyethanol?
The InChIKey is QLASEPALMKPAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-12-6-5-7-13-10-16(20-17(12)13)15(18)11-19-14-8-3-2-4-9-14/h2-10,15,18H,11H2,1H3.
What are the key properties of 1-(7-methyl-1-benzofuran-2-yl)-2-phenoxyethanol?
1-(7-methyl-1-benzofuran-2-yl)-2-phenoxyethanol has a molecular weight of 268.31 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyl-1-benzofuran-2-yl)-2-phenoxyethanol is sourced from PubChem (CID 114726451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).