1-(3-methoxypyrazin-2-yl)-3-(3-methylphenyl)propan-1-ol

C15H18N2O2 — CID 105124030

IUPAC1-(3-methoxypyrazin-2-yl)-3-(3-methylphenyl)propan-1-ol
SMILESCOc1nccnc1C(O)CCc1cccc(C)c1
InChIInChI=1S/C15H18N2O2/c1-11-4-3-5-12(10-11)6-7-13(18)14-15(19-2)17-9-8-16-14/h3-5,8-10,13,18H,6-7H2,1-2H3
InChIKeyJAKVSNMPYKMOHK-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.46
Rot. Bonds5

About 1-(3-methoxypyrazin-2-yl)-3-(3-methylphenyl)propan-1-ol

1-(3-methoxypyrazin-2-yl)-3-(3-methylphenyl)propan-1-ol (PubChem CID 105124030) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(3-methoxypyrazin-2-yl)-3-(3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(3-methoxypyrazin-2-yl)-3-(3-methylphenyl)propan-1-ol
PubChem CID105124030
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-(3-methoxypyrazin-2-yl)-3-(3-methylphenyl)propan-1-ol
SMILESCOc1nccnc1C(O)CCc1cccc(C)c1
InChIInChI=1S/C15H18N2O2/c1-11-4-3-5-12(10-11)6-7-13(18)14-15(19-2)17-9-8-16-14/h3-5,8-10,13,18H,6-7H2,1-2H3
InChIKeyJAKVSNMPYKMOHK-UHFFFAOYSA-N
XLogP2.46
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxypyrazin-2-yl)-2-(3-methylphenyl)ethanol
CID 113421532
1,3-bis(3-methylphenyl)propan-1-ol
CID 105077889
1-(3-methoxy-2-pyridinyl)-2-(3-methylphenyl)ethanol
CID 114053750
1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)propan-1-ol
CID 105121012
4-methoxy-1-(3-methoxypyrazin-2-yl)pentan-1-ol
CID 105123882
4-(3-methylphenyl)-1-phenylbutan-2-ol
CID 63016612
N-[(3-methoxypyrazin-2-yl)-(3-methylphenyl)methyl]ethanamine
CID 104515368
3-(3-methylphenyl)-1-(4-propoxyphenyl)propan-1-ol
CID 105095182
(2,5-dimethylphenyl)-(3-methoxypyrazin-2-yl)methanol
CID 104514541
1-(3-methoxypyrazin-2-yl)-2-pyridin-2-ylethanol
CID 104515074
1-(1-methylimidazol-2-yl)-4-(3-methylphenyl)butan-2-ol
CID 105113610
1-amino-4-(3-methylphenyl)butan-2-ol
CID 66581739

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypyrazin-2-yl)-3-(3-methylphenyl)propan-1-ol?
The IUPAC name of 1-(3-methoxypyrazin-2-yl)-3-(3-methylphenyl)propan-1-ol (CID 105124030) is 1-(3-methoxypyrazin-2-yl)-3-(3-methylphenyl)propan-1-ol.
What is the SMILES notation for 1-(3-methoxypyrazin-2-yl)-3-(3-methylphenyl)propan-1-ol?
The canonical SMILES for 1-(3-methoxypyrazin-2-yl)-3-(3-methylphenyl)propan-1-ol is COc1nccnc1C(O)CCc1cccc(C)c1.
What is the InChIKey of 1-(3-methoxypyrazin-2-yl)-3-(3-methylphenyl)propan-1-ol?
The InChIKey is JAKVSNMPYKMOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11-4-3-5-12(10-11)6-7-13(18)14-15(19-2)17-9-8-16-14/h3-5,8-10,13,18H,6-7H2,1-2H3.
What are the key properties of 1-(3-methoxypyrazin-2-yl)-3-(3-methylphenyl)propan-1-ol?
1-(3-methoxypyrazin-2-yl)-3-(3-methylphenyl)propan-1-ol has a molecular weight of 258.32 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypyrazin-2-yl)-3-(3-methylphenyl)propan-1-ol is sourced from PubChem (CID 105124030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).