(3-chloro-4-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methanol

C14H16ClNO2S — CID 103408210

IUPAC(3-chloro-4-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methanol
SMILESCCCOc1cncc(C(O)c2scc(C)c2Cl)c1
InChIInChI=1S/C14H16ClNO2S/c1-3-4-18-11-5-10(6-16-7-11)13(17)14-12(15)9(2)8-19-14/h5-8,13,17H,3-4H2,1-2H3
InChIKeyPJMVBOVRHVPRJT-UHFFFAOYSA-N
MW297.81 g/mol
LogP3.98
Rot. Bonds5

About (3-chloro-4-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methanol

(3-chloro-4-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methanol (PubChem CID 103408210) has the molecular formula C14H16ClNO2S and a molecular weight of 297.81 g/mol. Its IUPAC name is (3-chloro-4-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methanol.

Molecular Properties

Compound Name(3-chloro-4-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methanol
PubChem CID103408210
Molecular FormulaC14H16ClNO2S
Molecular Weight297.81 g/mol
Exact Mass297.06
IUPAC Name(3-chloro-4-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methanol
SMILESCCCOc1cncc(C(O)c2scc(C)c2Cl)c1
InChIInChI=1S/C14H16ClNO2S/c1-3-4-18-11-5-10(6-16-7-11)13(17)14-12(15)9(2)8-19-14/h5-8,13,17H,3-4H2,1-2H3
InChIKeyPJMVBOVRHVPRJT-UHFFFAOYSA-N
XLogP3.98
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chloro-4-methylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methanol
CID 103407834
(3-chloro-4-methylthiophen-2-yl)-(3,5-dimethoxyphenyl)methanol
CID 103408157
(2-chloro-3-fluorophenyl)-(5-propoxy-3-pyridinyl)methanol
CID 115829228
(2,5-dimethylfuran-3-yl)-(5-propoxy-3-pyridinyl)methanol
CID 115829129
1-(2-chloro-3-methylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026800
(2-methylsulfanylphenyl)-(5-propoxy-3-pyridinyl)methanol
CID 115829191
1-(5-propoxy-3-pyridinyl)butane-1,2-diol
CID 103454750
(2-fluoro-4-methylphenyl)-(5-propoxy-3-pyridinyl)methanol
CID 115829147
(2-chloro-6-methoxyphenyl)-(5-propoxy-3-pyridinyl)methanol
CID 104817389
1-(3,5-dichlorophenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026931
(3-chloro-4-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 103407087
[(4-methylthiophen-3-yl)-(5-propoxy-3-pyridinyl)methyl]hydrazine
CID 105251939

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methanol?
The IUPAC name of (3-chloro-4-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methanol (CID 103408210) is (3-chloro-4-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methanol.
What is the SMILES notation for (3-chloro-4-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methanol?
The canonical SMILES for (3-chloro-4-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methanol is CCCOc1cncc(C(O)c2scc(C)c2Cl)c1.
What is the InChIKey of (3-chloro-4-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methanol?
The InChIKey is PJMVBOVRHVPRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2S/c1-3-4-18-11-5-10(6-16-7-11)13(17)14-12(15)9(2)8-19-14/h5-8,13,17H,3-4H2,1-2H3.
What are the key properties of (3-chloro-4-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methanol?
(3-chloro-4-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methanol has a molecular weight of 297.81 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methanol is sourced from PubChem (CID 103408210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).