(2-chloro-4,5-diethoxyphenyl)-(5-methylfuran-3-yl)methanol

C16H19ClO4 — CID 114822297

IUPAC(2-chloro-4,5-diethoxyphenyl)-(5-methylfuran-3-yl)methanol
SMILESCCOc1cc(Cl)c(C(O)c2coc(C)c2)cc1OCC
InChIInChI=1S/C16H19ClO4/c1-4-19-14-7-12(13(17)8-15(14)20-5-2)16(18)11-6-10(3)21-9-11/h6-9,16,18H,4-5H2,1-3H3
InChIKeyJFWJXHISWOYPTK-UHFFFAOYSA-N
MW310.78 g/mol
LogP4.12
Rot. Bonds6

About (2-chloro-4,5-diethoxyphenyl)-(5-methylfuran-3-yl)methanol

(2-chloro-4,5-diethoxyphenyl)-(5-methylfuran-3-yl)methanol (PubChem CID 114822297) has the molecular formula C16H19ClO4 and a molecular weight of 310.78 g/mol. Its IUPAC name is (2-chloro-4,5-diethoxyphenyl)-(5-methylfuran-3-yl)methanol.

Molecular Properties

Compound Name(2-chloro-4,5-diethoxyphenyl)-(5-methylfuran-3-yl)methanol
PubChem CID114822297
Molecular FormulaC16H19ClO4
Molecular Weight310.78 g/mol
Exact Mass310.10
IUPAC Name(2-chloro-4,5-diethoxyphenyl)-(5-methylfuran-3-yl)methanol
SMILESCCOc1cc(Cl)c(C(O)c2coc(C)c2)cc1OCC
InChIInChI=1S/C16H19ClO4/c1-4-19-14-7-12(13(17)8-15(14)20-5-2)16(18)11-6-10(3)21-9-11/h6-9,16,18H,4-5H2,1-3H3
InChIKeyJFWJXHISWOYPTK-UHFFFAOYSA-N
XLogP4.12
TPSA51.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dichloro-4-ethoxyphenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
CID 114820407
(2-bromofuran-3-yl)-(2-chloro-4,5-diethoxyphenyl)methanol
CID 106855351
(2-chloro-4,5-diethoxyphenyl)-(3-chlorothiophen-2-yl)methanol
CID 80644143
(2-chloro-4,5-diethoxyphenyl)-cyclopropylmethanol
CID 61083158
1-(4-chloro-2,5-diethoxyphenyl)propan-1-ol
CID 82268035
2-methyl-1-(5-methylfuran-3-yl)butan-1-ol
CID 115823362
(4-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanol
CID 61101078
3-(2-chloro-4,5-diethoxyphenyl)butanoic acid
CID 83959381
1-(2-ethoxyphenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
CID 115853566
(4-chloro-3-methylphenyl)-(2-ethoxyphenyl)methanol
CID 115795759
1-(2-chloro-4,5-diethoxyphenyl)hexane-3,4-diol
CID 83943792
1-chloro-2-(1-chloro-3-methylpentyl)-4,5-diethoxybenzene
CID 114876048

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-diethoxyphenyl)-(5-methylfuran-3-yl)methanol?
The IUPAC name of (2-chloro-4,5-diethoxyphenyl)-(5-methylfuran-3-yl)methanol (CID 114822297) is (2-chloro-4,5-diethoxyphenyl)-(5-methylfuran-3-yl)methanol.
What is the SMILES notation for (2-chloro-4,5-diethoxyphenyl)-(5-methylfuran-3-yl)methanol?
The canonical SMILES for (2-chloro-4,5-diethoxyphenyl)-(5-methylfuran-3-yl)methanol is CCOc1cc(Cl)c(C(O)c2coc(C)c2)cc1OCC.
What is the InChIKey of (2-chloro-4,5-diethoxyphenyl)-(5-methylfuran-3-yl)methanol?
The InChIKey is JFWJXHISWOYPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClO4/c1-4-19-14-7-12(13(17)8-15(14)20-5-2)16(18)11-6-10(3)21-9-11/h6-9,16,18H,4-5H2,1-3H3.
What are the key properties of (2-chloro-4,5-diethoxyphenyl)-(5-methylfuran-3-yl)methanol?
(2-chloro-4,5-diethoxyphenyl)-(5-methylfuran-3-yl)methanol has a molecular weight of 310.78 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5-diethoxyphenyl)-(5-methylfuran-3-yl)methanol is sourced from PubChem (CID 114822297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).