(4-chloro-3-pyridinyl)-(4-phenylmethoxyphenyl)methanol

C19H16ClNO2 — CID 139474166

IUPAC(4-chloro-3-pyridinyl)-(4-phenylmethoxyphenyl)methanol
SMILESOC(c1ccc(OCc2ccccc2)cc1)c1cnccc1Cl
InChIInChI=1S/C19H16ClNO2/c20-18-10-11-21-12-17(18)19(22)15-6-8-16(9-7-15)23-13-14-4-2-1-3-5-14/h1-12,19,22H,13H2
InChIKeyZWDNTNIJMXJHHR-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.40
Rot. Bonds5

About (4-chloro-3-pyridinyl)-(4-phenylmethoxyphenyl)methanol

(4-chloro-3-pyridinyl)-(4-phenylmethoxyphenyl)methanol (PubChem CID 139474166) has the molecular formula C19H16ClNO2 and a molecular weight of 325.80 g/mol. Its IUPAC name is (4-chloro-3-pyridinyl)-(4-phenylmethoxyphenyl)methanol.

Molecular Properties

Compound Name(4-chloro-3-pyridinyl)-(4-phenylmethoxyphenyl)methanol
PubChem CID139474166
Molecular FormulaC19H16ClNO2
Molecular Weight325.80 g/mol
Exact Mass325.09
IUPAC Name(4-chloro-3-pyridinyl)-(4-phenylmethoxyphenyl)methanol
SMILESOC(c1ccc(OCc2ccccc2)cc1)c1cnccc1Cl
InChIInChI=1S/C19H16ClNO2/c20-18-10-11-21-12-17(18)19(22)15-6-8-16(9-7-15)23-13-14-4-2-1-3-5-14/h1-12,19,22H,13H2
InChIKeyZWDNTNIJMXJHHR-UHFFFAOYSA-N
XLogP4.40
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 43503736
1-(2-chloro-5-phenylmethoxyphenyl)ethanol
CID 83988712
4-bromo-1-(4-phenylmethoxyphenyl)butane-1,2-diol
CID 171893021
(1R)-1-(4-phenylmethoxyphenyl)ethane-1,2-diol
CID 71416199
1-amino-2-(4-phenylmethoxyphenyl)ethane-1,2-diol
CID 70474392
(4-chloro-7-phenylmethoxyquinolin-3-yl)-(3-fluorophenyl)methanol
CID 169092952
(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]propan-1-ol
CID 55189539
1-(4-phenylmethoxyphenyl)ethanethiol
CID 43124131
2-hydroxy-2-(4-phenylmethoxyphenyl)acetonitrile
CID 15557528
1,3-bis(4-phenylmethoxyphenoxy)propan-2-ol
CID 3030941
3-(phenoxymethyl)pyridine;hydrochloride
CID 157085776
4-chloro-6-phenylmethoxyquinoline
CID 23078431

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-pyridinyl)-(4-phenylmethoxyphenyl)methanol?
The IUPAC name of (4-chloro-3-pyridinyl)-(4-phenylmethoxyphenyl)methanol (CID 139474166) is (4-chloro-3-pyridinyl)-(4-phenylmethoxyphenyl)methanol.
What is the SMILES notation for (4-chloro-3-pyridinyl)-(4-phenylmethoxyphenyl)methanol?
The canonical SMILES for (4-chloro-3-pyridinyl)-(4-phenylmethoxyphenyl)methanol is OC(c1ccc(OCc2ccccc2)cc1)c1cnccc1Cl.
What is the InChIKey of (4-chloro-3-pyridinyl)-(4-phenylmethoxyphenyl)methanol?
The InChIKey is ZWDNTNIJMXJHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO2/c20-18-10-11-21-12-17(18)19(22)15-6-8-16(9-7-15)23-13-14-4-2-1-3-5-14/h1-12,19,22H,13H2.
What are the key properties of (4-chloro-3-pyridinyl)-(4-phenylmethoxyphenyl)methanol?
(4-chloro-3-pyridinyl)-(4-phenylmethoxyphenyl)methanol has a molecular weight of 325.80 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-pyridinyl)-(4-phenylmethoxyphenyl)methanol is sourced from PubChem (CID 139474166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).