(2-chloro-3,4-dimethoxyphenyl)-(6-methyl-3-pyridinyl)methanol

C15H16ClNO3 — CID 63895524

IUPAC(2-chloro-3,4-dimethoxyphenyl)-(6-methyl-3-pyridinyl)methanol
SMILESCOc1ccc(C(O)c2ccc(C)nc2)c(Cl)c1OC
InChIInChI=1S/C15H16ClNO3/c1-9-4-5-10(8-17-9)14(18)11-6-7-12(19-2)15(20-3)13(11)16/h4-8,14,18H,1-3H3
InChIKeySCVHXKLBSSNFAH-UHFFFAOYSA-N
MW293.75 g/mol
LogP3.14
Rot. Bonds4

About (2-chloro-3,4-dimethoxyphenyl)-(6-methyl-3-pyridinyl)methanol

(2-chloro-3,4-dimethoxyphenyl)-(6-methyl-3-pyridinyl)methanol (PubChem CID 63895524) has the molecular formula C15H16ClNO3 and a molecular weight of 293.75 g/mol. Its IUPAC name is (2-chloro-3,4-dimethoxyphenyl)-(6-methyl-3-pyridinyl)methanol.

Molecular Properties

Compound Name(2-chloro-3,4-dimethoxyphenyl)-(6-methyl-3-pyridinyl)methanol
PubChem CID63895524
Molecular FormulaC15H16ClNO3
Molecular Weight293.75 g/mol
Exact Mass293.08
IUPAC Name(2-chloro-3,4-dimethoxyphenyl)-(6-methyl-3-pyridinyl)methanol
SMILESCOc1ccc(C(O)c2ccc(C)nc2)c(Cl)c1OC
InChIInChI=1S/C15H16ClNO3/c1-9-4-5-10(8-17-9)14(18)11-6-7-12(19-2)15(20-3)13(11)16/h4-8,14,18H,1-3H3
InChIKeySCVHXKLBSSNFAH-UHFFFAOYSA-N
XLogP3.14
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-3,4-dimethoxyphenyl)-(6-methyl-3-pyridinyl)methanol?
The IUPAC name of (2-chloro-3,4-dimethoxyphenyl)-(6-methyl-3-pyridinyl)methanol (CID 63895524) is (2-chloro-3,4-dimethoxyphenyl)-(6-methyl-3-pyridinyl)methanol.
What is the SMILES notation for (2-chloro-3,4-dimethoxyphenyl)-(6-methyl-3-pyridinyl)methanol?
The canonical SMILES for (2-chloro-3,4-dimethoxyphenyl)-(6-methyl-3-pyridinyl)methanol is COc1ccc(C(O)c2ccc(C)nc2)c(Cl)c1OC.
What is the InChIKey of (2-chloro-3,4-dimethoxyphenyl)-(6-methyl-3-pyridinyl)methanol?
The InChIKey is SCVHXKLBSSNFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3/c1-9-4-5-10(8-17-9)14(18)11-6-7-12(19-2)15(20-3)13(11)16/h4-8,14,18H,1-3H3.
What are the key properties of (2-chloro-3,4-dimethoxyphenyl)-(6-methyl-3-pyridinyl)methanol?
(2-chloro-3,4-dimethoxyphenyl)-(6-methyl-3-pyridinyl)methanol has a molecular weight of 293.75 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3,4-dimethoxyphenyl)-(6-methyl-3-pyridinyl)methanol is sourced from PubChem (CID 63895524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).