(7-chloro-1-benzofuran-2-yl)-(3-ethoxyphenyl)methanol

C17H15ClO3 — CID 114723288

IUPAC(7-chloro-1-benzofuran-2-yl)-(3-ethoxyphenyl)methanol
SMILESCCOc1cccc(C(O)c2cc3cccc(Cl)c3o2)c1
InChIInChI=1S/C17H15ClO3/c1-2-20-13-7-3-5-11(9-13)16(19)15-10-12-6-4-8-14(18)17(12)21-15/h3-10,16,19H,2H2,1H3
InChIKeyJKMMLHMCZGOVTL-UHFFFAOYSA-N
MW302.76 g/mol
LogP4.57
Rot. Bonds4

About (7-chloro-1-benzofuran-2-yl)-(3-ethoxyphenyl)methanol

(7-chloro-1-benzofuran-2-yl)-(3-ethoxyphenyl)methanol (PubChem CID 114723288) has the molecular formula C17H15ClO3 and a molecular weight of 302.76 g/mol. Its IUPAC name is (7-chloro-1-benzofuran-2-yl)-(3-ethoxyphenyl)methanol.

Molecular Properties

Compound Name(7-chloro-1-benzofuran-2-yl)-(3-ethoxyphenyl)methanol
PubChem CID114723288
Molecular FormulaC17H15ClO3
Molecular Weight302.76 g/mol
Exact Mass302.07
IUPAC Name(7-chloro-1-benzofuran-2-yl)-(3-ethoxyphenyl)methanol
SMILESCCOc1cccc(C(O)c2cc3cccc(Cl)c3o2)c1
InChIInChI=1S/C17H15ClO3/c1-2-20-13-7-3-5-11(9-13)16(19)15-10-12-6-4-8-14(18)17(12)21-15/h3-10,16,19H,2H2,1H3
InChIKeyJKMMLHMCZGOVTL-UHFFFAOYSA-N
XLogP4.57
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7-chloro-1-benzofuran-2-yl)-(3-ethyl-4-pyridinyl)methanol
CID 114727190
(4-bromophenyl)-(7-chloro-1-benzofuran-2-yl)methanol
CID 114723321
(7-chloro-1-benzofuran-2-yl)-(6-methyl-3-pyridinyl)methanol
CID 114724795
(7-chloro-1-benzofuran-2-yl)-(2-methoxyphenyl)methanol
CID 114723264
(7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanol
CID 114723619
chloro-(3-ethoxyphenyl)methanol
CID 141156919
(3-ethoxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanol
CID 115827546
1-(7-chloro-1-benzofuran-2-yl)-4-ethoxybutan-1-ol
CID 105130466
(7-chloro-1-benzofuran-2-yl)-(5-chloro-2-methoxyphenyl)methanol
CID 115837576
(3-ethoxyphenyl)-(furan-3-yl)methanol
CID 63948949
1-(7-chloro-1-benzofuran-2-yl)-2-methylpropan-1-ol
CID 65426322
(7-chloro-1-benzofuran-2-yl)-(4-cyclopropylphenyl)methanol
CID 114724261

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1-benzofuran-2-yl)-(3-ethoxyphenyl)methanol?
The IUPAC name of (7-chloro-1-benzofuran-2-yl)-(3-ethoxyphenyl)methanol (CID 114723288) is (7-chloro-1-benzofuran-2-yl)-(3-ethoxyphenyl)methanol.
What is the SMILES notation for (7-chloro-1-benzofuran-2-yl)-(3-ethoxyphenyl)methanol?
The canonical SMILES for (7-chloro-1-benzofuran-2-yl)-(3-ethoxyphenyl)methanol is CCOc1cccc(C(O)c2cc3cccc(Cl)c3o2)c1.
What is the InChIKey of (7-chloro-1-benzofuran-2-yl)-(3-ethoxyphenyl)methanol?
The InChIKey is JKMMLHMCZGOVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClO3/c1-2-20-13-7-3-5-11(9-13)16(19)15-10-12-6-4-8-14(18)17(12)21-15/h3-10,16,19H,2H2,1H3.
What are the key properties of (7-chloro-1-benzofuran-2-yl)-(3-ethoxyphenyl)methanol?
(7-chloro-1-benzofuran-2-yl)-(3-ethoxyphenyl)methanol has a molecular weight of 302.76 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1-benzofuran-2-yl)-(3-ethoxyphenyl)methanol is sourced from PubChem (CID 114723288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).