(3-chloro-4-pyridinyl)-(2,4-dimethoxyphenyl)methanol

C14H14ClNO3 — CID 105095989

IUPAC(3-chloro-4-pyridinyl)-(2,4-dimethoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2ccncc2Cl)c(OC)c1
InChIInChI=1S/C14H14ClNO3/c1-18-9-3-4-11(13(7-9)19-2)14(17)10-5-6-16-8-12(10)15/h3-8,14,17H,1-2H3
InChIKeyJXQLVOBVIVPYEY-UHFFFAOYSA-N
MW279.72 g/mol
LogP2.83
Rot. Bonds4

About (3-chloro-4-pyridinyl)-(2,4-dimethoxyphenyl)methanol

(3-chloro-4-pyridinyl)-(2,4-dimethoxyphenyl)methanol (PubChem CID 105095989) has the molecular formula C14H14ClNO3 and a molecular weight of 279.72 g/mol. Its IUPAC name is (3-chloro-4-pyridinyl)-(2,4-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name(3-chloro-4-pyridinyl)-(2,4-dimethoxyphenyl)methanol
PubChem CID105095989
Molecular FormulaC14H14ClNO3
Molecular Weight279.72 g/mol
Exact Mass279.07
IUPAC Name(3-chloro-4-pyridinyl)-(2,4-dimethoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2ccncc2Cl)c(OC)c1
InChIInChI=1S/C14H14ClNO3/c1-18-9-3-4-11(13(7-9)19-2)14(17)10-5-6-16-8-12(10)15/h3-8,14,17H,1-2H3
InChIKeyJXQLVOBVIVPYEY-UHFFFAOYSA-N
XLogP2.83
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-dichlorophenyl)-(2,4-dimethoxyphenyl)methanol
CID 61087695
(4-bromo-2-methoxyphenyl)-(2-chloro-4-methoxyphenyl)methanol
CID 115369750
(3-chloro-4-pyridinyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 105120947
(2,4-dimethoxyphenyl)-pyrimidin-4-ylmethanol
CID 63989129
(1R)-1-[2-[(3-chloro-4-pyridinyl)methoxy]-4-methoxyphenyl]ethanol
CID 82001578
(2,5-dimethoxyphenyl)-(4-methyl-3-pyridinyl)methanol
CID 66272656
(2,4-dimethoxyphenyl)-pyridazin-4-ylmethanol
CID 105095945
(3,5-dimethoxyphenyl)-(3-methoxy-4-pyridinyl)methanol
CID 105066374
(2-amino-1,3-thiazol-5-yl)-(2,4-dimethoxyphenyl)methanol
CID 113370193
(2,4-dimethoxyphenyl)-(5-methyl-3-pyridinyl)methanol
CID 115373623
(2-fluoro-4-methoxyphenyl)-(3-methyl-4-pyridinyl)methanol
CID 103395465
2,4-dichloro-1-(2,4-dichlorophenoxy)benzene;(2,4-dimethoxyphenyl)-pyrimidin-5-ylmethanol
CID 70524049

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-pyridinyl)-(2,4-dimethoxyphenyl)methanol?
The IUPAC name of (3-chloro-4-pyridinyl)-(2,4-dimethoxyphenyl)methanol (CID 105095989) is (3-chloro-4-pyridinyl)-(2,4-dimethoxyphenyl)methanol.
What is the SMILES notation for (3-chloro-4-pyridinyl)-(2,4-dimethoxyphenyl)methanol?
The canonical SMILES for (3-chloro-4-pyridinyl)-(2,4-dimethoxyphenyl)methanol is COc1ccc(C(O)c2ccncc2Cl)c(OC)c1.
What is the InChIKey of (3-chloro-4-pyridinyl)-(2,4-dimethoxyphenyl)methanol?
The InChIKey is JXQLVOBVIVPYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3/c1-18-9-3-4-11(13(7-9)19-2)14(17)10-5-6-16-8-12(10)15/h3-8,14,17H,1-2H3.
What are the key properties of (3-chloro-4-pyridinyl)-(2,4-dimethoxyphenyl)methanol?
(3-chloro-4-pyridinyl)-(2,4-dimethoxyphenyl)methanol has a molecular weight of 279.72 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-pyridinyl)-(2,4-dimethoxyphenyl)methanol is sourced from PubChem (CID 105095989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).