(2-ethoxyphenyl)-(7-methyl-1-benzofuran-2-yl)methanol

C18H18O3 — CID 114723269

IUPAC(2-ethoxyphenyl)-(7-methyl-1-benzofuran-2-yl)methanol
SMILESCCOc1ccccc1C(O)c1cc2cccc(C)c2o1
InChIInChI=1S/C18H18O3/c1-3-20-15-10-5-4-9-14(15)17(19)16-11-13-8-6-7-12(2)18(13)21-16/h4-11,17,19H,3H2,1-2H3
InChIKeyJJKBJWXGDDQBPD-UHFFFAOYSA-N
MW282.34 g/mol
LogP4.22
Rot. Bonds4

About (2-ethoxyphenyl)-(7-methyl-1-benzofuran-2-yl)methanol

(2-ethoxyphenyl)-(7-methyl-1-benzofuran-2-yl)methanol (PubChem CID 114723269) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is (2-ethoxyphenyl)-(7-methyl-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name(2-ethoxyphenyl)-(7-methyl-1-benzofuran-2-yl)methanol
PubChem CID114723269
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name(2-ethoxyphenyl)-(7-methyl-1-benzofuran-2-yl)methanol
SMILESCCOc1ccccc1C(O)c1cc2cccc(C)c2o1
InChIInChI=1S/C18H18O3/c1-3-20-15-10-5-4-9-14(15)17(19)16-11-13-8-6-7-12(2)18(13)21-16/h4-11,17,19H,3H2,1-2H3
InChIKeyJJKBJWXGDDQBPD-UHFFFAOYSA-N
XLogP4.22
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7-methyl-1-benzofuran-2-yl)-(2-methyl-3-pyridinyl)methanol
CID 105129303
(2,3-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723415
(7-chloro-1-benzofuran-2-yl)-(2-methoxyphenyl)methanol
CID 114723264
1-benzofuran-2-yl-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723563
(5-chlorofuran-2-yl)-(2-ethoxyphenyl)methanol
CID 106693712
(2-amino-5-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114727209
1-(7-methyl-1-benzofuran-2-yl)-2-phenoxyethanol
CID 114726451
2-ethoxy-2-methyl-1-(7-methyl-1-benzofuran-2-yl)propan-1-ol
CID 114727377
(3,5-dimethylphenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723638
1-(2-methoxyphenyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 114727498
1-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]ethanol
CID 175788600
(3-ethyl-2-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114727223

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)-(7-methyl-1-benzofuran-2-yl)methanol?
The IUPAC name of (2-ethoxyphenyl)-(7-methyl-1-benzofuran-2-yl)methanol (CID 114723269) is (2-ethoxyphenyl)-(7-methyl-1-benzofuran-2-yl)methanol.
What is the SMILES notation for (2-ethoxyphenyl)-(7-methyl-1-benzofuran-2-yl)methanol?
The canonical SMILES for (2-ethoxyphenyl)-(7-methyl-1-benzofuran-2-yl)methanol is CCOc1ccccc1C(O)c1cc2cccc(C)c2o1.
What is the InChIKey of (2-ethoxyphenyl)-(7-methyl-1-benzofuran-2-yl)methanol?
The InChIKey is JJKBJWXGDDQBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-3-20-15-10-5-4-9-14(15)17(19)16-11-13-8-6-7-12(2)18(13)21-16/h4-11,17,19H,3H2,1-2H3.
What are the key properties of (2-ethoxyphenyl)-(7-methyl-1-benzofuran-2-yl)methanol?
(2-ethoxyphenyl)-(7-methyl-1-benzofuran-2-yl)methanol has a molecular weight of 282.34 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)-(7-methyl-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 114723269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).