(3-methyl-4-phenoxyphenyl)-pyridin-3-ylmethanol

C19H17NO2 — CID 70620359

IUPAC(3-methyl-4-phenoxyphenyl)-pyridin-3-ylmethanol
SMILESCc1cc(C(O)c2cccnc2)ccc1Oc1ccccc1
InChIInChI=1S/C19H17NO2/c1-14-12-15(19(21)16-6-5-11-20-13-16)9-10-18(14)22-17-7-3-2-4-8-17/h2-13,19,21H,1H3
InChIKeyZXBAUXOCKCTXIP-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.26
Rot. Bonds4

About (3-methyl-4-phenoxyphenyl)-pyridin-3-ylmethanol

(3-methyl-4-phenoxyphenyl)-pyridin-3-ylmethanol (PubChem CID 70620359) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is (3-methyl-4-phenoxyphenyl)-pyridin-3-ylmethanol.

Molecular Properties

Compound Name(3-methyl-4-phenoxyphenyl)-pyridin-3-ylmethanol
PubChem CID70620359
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name(3-methyl-4-phenoxyphenyl)-pyridin-3-ylmethanol
SMILESCc1cc(C(O)c2cccnc2)ccc1Oc1ccccc1
InChIInChI=1S/C19H17NO2/c1-14-12-15(19(21)16-6-5-11-20-13-16)9-10-18(14)22-17-7-3-2-4-8-17/h2-13,19,21H,1H3
InChIKeyZXBAUXOCKCTXIP-UHFFFAOYSA-N
XLogP4.26
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-4-phenoxyphenyl)-pyridin-3-ylmethanol?
The IUPAC name of (3-methyl-4-phenoxyphenyl)-pyridin-3-ylmethanol (CID 70620359) is (3-methyl-4-phenoxyphenyl)-pyridin-3-ylmethanol.
What is the SMILES notation for (3-methyl-4-phenoxyphenyl)-pyridin-3-ylmethanol?
The canonical SMILES for (3-methyl-4-phenoxyphenyl)-pyridin-3-ylmethanol is Cc1cc(C(O)c2cccnc2)ccc1Oc1ccccc1.
What is the InChIKey of (3-methyl-4-phenoxyphenyl)-pyridin-3-ylmethanol?
The InChIKey is ZXBAUXOCKCTXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c1-14-12-15(19(21)16-6-5-11-20-13-16)9-10-18(14)22-17-7-3-2-4-8-17/h2-13,19,21H,1H3.
What are the key properties of (3-methyl-4-phenoxyphenyl)-pyridin-3-ylmethanol?
(3-methyl-4-phenoxyphenyl)-pyridin-3-ylmethanol has a molecular weight of 291.35 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-4-phenoxyphenyl)-pyridin-3-ylmethanol is sourced from PubChem (CID 70620359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).