[3-[(3-chlorophenyl)methoxy]-4-pyridinyl]methanol

C13H12ClNO2 — CID 105067190

IUPAC[3-[(3-chlorophenyl)methoxy]-4-pyridinyl]methanol
SMILESOCc1ccncc1OCc1cccc(Cl)c1
InChIInChI=1S/C13H12ClNO2/c14-12-3-1-2-10(6-12)9-17-13-7-15-5-4-11(13)8-16/h1-7,16H,8-9H2
InChIKeyWKDNWALOGGAQPA-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.81
Rot. Bonds4

About [3-[(3-chlorophenyl)methoxy]-4-pyridinyl]methanol

[3-[(3-chlorophenyl)methoxy]-4-pyridinyl]methanol (PubChem CID 105067190) has the molecular formula C13H12ClNO2 and a molecular weight of 249.70 g/mol. Its IUPAC name is [3-[(3-chlorophenyl)methoxy]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3-[(3-chlorophenyl)methoxy]-4-pyridinyl]methanol
PubChem CID105067190
Molecular FormulaC13H12ClNO2
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC Name[3-[(3-chlorophenyl)methoxy]-4-pyridinyl]methanol
SMILESOCc1ccncc1OCc1cccc(Cl)c1
InChIInChI=1S/C13H12ClNO2/c14-12-3-1-2-10(6-12)9-17-13-7-15-5-4-11(13)8-16/h1-7,16H,8-9H2
InChIKeyWKDNWALOGGAQPA-UHFFFAOYSA-N
XLogP2.81
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-chlorophenyl)methoxy]pyridin-3-amine
CID 65126775
[3-[(3-chlorophenyl)methoxy]phenyl]methanol
CID 28562037
(3-chlorophenyl)methyl 4-chloropyridine-3-carboxylate
CID 115885965
2-[(3-chlorophenyl)methoxy]phenol
CID 18947333
[4-[(3-chlorophenyl)methoxy]quinolin-2-yl]methanol
CID 65126437
[2-[(3-chlorophenyl)methoxy]-5-nitrophenyl]methanol
CID 43472956
3-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine
CID 39869127
(3-chlorophenyl)methyl pyridine-3-carboxylate
CID 3463930
2,5-bis[(3-chlorophenyl)methoxy]phenol
CID 139941886
5-chloro-2-[(3-chlorophenyl)methoxy]pyridine
CID 66232556
[6-chloro-5-[(3-chlorophenyl)methoxy]-1H-benzimidazol-2-yl]methanol
CID 135358909
5-chloro-2-[(3-chlorophenyl)methoxy]benzoate
CID 7023057

Frequently Asked Questions

What is the IUPAC name of [3-[(3-chlorophenyl)methoxy]-4-pyridinyl]methanol?
The IUPAC name of [3-[(3-chlorophenyl)methoxy]-4-pyridinyl]methanol (CID 105067190) is [3-[(3-chlorophenyl)methoxy]-4-pyridinyl]methanol.
What is the SMILES notation for [3-[(3-chlorophenyl)methoxy]-4-pyridinyl]methanol?
The canonical SMILES for [3-[(3-chlorophenyl)methoxy]-4-pyridinyl]methanol is OCc1ccncc1OCc1cccc(Cl)c1.
What is the InChIKey of [3-[(3-chlorophenyl)methoxy]-4-pyridinyl]methanol?
The InChIKey is WKDNWALOGGAQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2/c14-12-3-1-2-10(6-12)9-17-13-7-15-5-4-11(13)8-16/h1-7,16H,8-9H2.
What are the key properties of [3-[(3-chlorophenyl)methoxy]-4-pyridinyl]methanol?
[3-[(3-chlorophenyl)methoxy]-4-pyridinyl]methanol has a molecular weight of 249.70 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-chlorophenyl)methoxy]-4-pyridinyl]methanol is sourced from PubChem (CID 105067190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).