1-(3-methoxyphenyl)-3-pyridin-4-ylpropan-2-ol

C15H17NO2 — CID 62608080

IUPAC1-(3-methoxyphenyl)-3-pyridin-4-ylpropan-2-ol
SMILESCOc1cccc(CC(O)Cc2ccncc2)c1
InChIInChI=1S/C15H17NO2/c1-18-15-4-2-3-13(11-15)10-14(17)9-12-5-7-16-8-6-12/h2-8,11,14,17H,9-10H2,1H3
InChIKeyRSYHKYFBRHGKEZ-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.24
Rot. Bonds5

About 1-(3-methoxyphenyl)-3-pyridin-4-ylpropan-2-ol

1-(3-methoxyphenyl)-3-pyridin-4-ylpropan-2-ol (PubChem CID 62608080) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-pyridin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-pyridin-4-ylpropan-2-ol
PubChem CID62608080
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name1-(3-methoxyphenyl)-3-pyridin-4-ylpropan-2-ol
SMILESCOc1cccc(CC(O)Cc2ccncc2)c1
InChIInChI=1S/C15H17NO2/c1-18-15-4-2-3-13(11-15)10-14(17)9-12-5-7-16-8-6-12/h2-8,11,14,17H,9-10H2,1H3
InChIKeyRSYHKYFBRHGKEZ-UHFFFAOYSA-N
XLogP2.24
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)pentan-2-ol
CID 61261615
1-(2,6-dichlorophenyl)-3-(3-methoxyphenyl)propan-2-ol
CID 62606541
2-(3-methoxyphenyl)-1-(3-methoxy-4-pyridinyl)ethanol
CID 105066229
1-(3-methoxyphenyl)-4-phenylbutan-2-ol
CID 55136240
5-chloro-1-(3-methoxyphenyl)pentan-2-ol
CID 66046833
1-(3-methoxyphenyl)-5-methylhex-5-en-2-ol
CID 114473809
1-(2-fluoro-3-methoxyphenyl)-3-(3-methoxyphenyl)propan-2-ol
CID 104793575
(2S)-2-amino-3-(3-methoxyphenyl)propan-1-ol
CID 28804581
(3-methoxyphenyl)(113C)methanol
CID 11593446
1-(3-methoxyphenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103008036
1-(2-chloro-3-fluorophenyl)-3-(3-methoxyphenyl)propan-2-ol
CID 115983556
5-(3-methoxyphenyl)-4-methylpentan-2-ol
CID 64721891

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-pyridin-4-ylpropan-2-ol?
The IUPAC name of 1-(3-methoxyphenyl)-3-pyridin-4-ylpropan-2-ol (CID 62608080) is 1-(3-methoxyphenyl)-3-pyridin-4-ylpropan-2-ol.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-pyridin-4-ylpropan-2-ol?
The canonical SMILES for 1-(3-methoxyphenyl)-3-pyridin-4-ylpropan-2-ol is COc1cccc(CC(O)Cc2ccncc2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-pyridin-4-ylpropan-2-ol?
The InChIKey is RSYHKYFBRHGKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-18-15-4-2-3-13(11-15)10-14(17)9-12-5-7-16-8-6-12/h2-8,11,14,17H,9-10H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)-3-pyridin-4-ylpropan-2-ol?
1-(3-methoxyphenyl)-3-pyridin-4-ylpropan-2-ol has a molecular weight of 243.31 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-pyridin-4-ylpropan-2-ol is sourced from PubChem (CID 62608080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).