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

C15H16Cl2O3S — CID 80644143

IUPAC(2-chloro-4,5-diethoxyphenyl)-(3-chlorothiophen-2-yl)methanol
SMILESCCOc1cc(Cl)c(C(O)c2sccc2Cl)cc1OCC
InChIInChI=1S/C15H16Cl2O3S/c1-3-19-12-7-9(11(17)8-13(12)20-4-2)14(18)15-10(16)5-6-21-15/h5-8,14,18H,3-4H2,1-2H3
InChIKeyGPCNVKOFSXNHON-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.93
Rot. Bonds6

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

(2-chloro-4,5-diethoxyphenyl)-(3-chlorothiophen-2-yl)methanol (PubChem CID 80644143) has the molecular formula C15H16Cl2O3S and a molecular weight of 347.26 g/mol. Its IUPAC name is (2-chloro-4,5-diethoxyphenyl)-(3-chlorothiophen-2-yl)methanol.

Molecular Properties

Compound Name(2-chloro-4,5-diethoxyphenyl)-(3-chlorothiophen-2-yl)methanol
PubChem CID80644143
Molecular FormulaC15H16Cl2O3S
Molecular Weight347.26 g/mol
Exact Mass346.02
IUPAC Name(2-chloro-4,5-diethoxyphenyl)-(3-chlorothiophen-2-yl)methanol
SMILESCCOc1cc(Cl)c(C(O)c2sccc2Cl)cc1OCC
InChIInChI=1S/C15H16Cl2O3S/c1-3-19-12-7-9(11(17)8-13(12)20-4-2)14(18)15-10(16)5-6-21-15/h5-8,14,18H,3-4H2,1-2H3
InChIKeyGPCNVKOFSXNHON-UHFFFAOYSA-N
XLogP4.93
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-bromo-4,5-diethoxyphenyl)-(3-chlorothiophen-2-yl)methanol
CID 80644142
bis(3-chlorothiophen-2-yl)methanol
CID 80642135
(5-bromo-2-chlorophenyl)-(3-chlorothiophen-2-yl)methanol
CID 80530430
(2-chloro-4,5-diethoxyphenyl)-(5-methylfuran-3-yl)methanol
CID 114822297
(2-bromofuran-3-yl)-(2-chloro-4,5-diethoxyphenyl)methanol
CID 106855351
(3-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methanol
CID 80530277
(2-chloro-4,5-dimethylphenyl)-(3-ethylthiophen-2-yl)methanol
CID 115484530
(5-chloro-2-fluorophenyl)-(3-chlorothiophen-2-yl)methanol
CID 80529355
1-(3-chlorothiophen-2-yl)-1-(2-ethoxy-5-methylphenyl)-N-methylmethanamine
CID 80645153
(4-chloro-2-fluorophenyl)-(3-chlorothiophen-2-yl)methanol
CID 80530486
(2-chloro-4,5-diethoxyphenyl)-cyclopropylmethanol
CID 61083158
(3-bromo-5-chloro-2-methoxyphenyl)-(3-chlorothiophen-2-yl)methanol
CID 80642254

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-diethoxyphenyl)-(3-chlorothiophen-2-yl)methanol?
The IUPAC name of (2-chloro-4,5-diethoxyphenyl)-(3-chlorothiophen-2-yl)methanol (CID 80644143) is (2-chloro-4,5-diethoxyphenyl)-(3-chlorothiophen-2-yl)methanol.
What is the SMILES notation for (2-chloro-4,5-diethoxyphenyl)-(3-chlorothiophen-2-yl)methanol?
The canonical SMILES for (2-chloro-4,5-diethoxyphenyl)-(3-chlorothiophen-2-yl)methanol is CCOc1cc(Cl)c(C(O)c2sccc2Cl)cc1OCC.
What is the InChIKey of (2-chloro-4,5-diethoxyphenyl)-(3-chlorothiophen-2-yl)methanol?
The InChIKey is GPCNVKOFSXNHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2O3S/c1-3-19-12-7-9(11(17)8-13(12)20-4-2)14(18)15-10(16)5-6-21-15/h5-8,14,18H,3-4H2,1-2H3.
What are the key properties of (2-chloro-4,5-diethoxyphenyl)-(3-chlorothiophen-2-yl)methanol?
(2-chloro-4,5-diethoxyphenyl)-(3-chlorothiophen-2-yl)methanol has a molecular weight of 347.26 g/mol, XLogP of 4.93, 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)-(3-chlorothiophen-2-yl)methanol is sourced from PubChem (CID 80644143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).