(3,4-dimethoxyphenyl)-(3-propyltriazol-4-yl)methanol

C14H19N3O3 — CID 114684701

IUPAC(3,4-dimethoxyphenyl)-(3-propyltriazol-4-yl)methanol
SMILESCCCn1nncc1C(O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H19N3O3/c1-4-7-17-11(9-15-16-17)14(18)10-5-6-12(19-2)13(8-10)20-3/h5-6,8-9,14,18H,4,7H2,1-3H3
InChIKeyTZJNVMMBSUMFEW-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.79
Rot. Bonds6

About (3,4-dimethoxyphenyl)-(3-propyltriazol-4-yl)methanol

(3,4-dimethoxyphenyl)-(3-propyltriazol-4-yl)methanol (PubChem CID 114684701) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(3-propyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(3-propyltriazol-4-yl)methanol
PubChem CID114684701
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name(3,4-dimethoxyphenyl)-(3-propyltriazol-4-yl)methanol
SMILESCCCn1nncc1C(O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H19N3O3/c1-4-7-17-11(9-15-16-17)14(18)10-5-6-12(19-2)13(8-10)20-3/h5-6,8-9,14,18H,4,7H2,1-3H3
InChIKeyTZJNVMMBSUMFEW-UHFFFAOYSA-N
XLogP1.79
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-fluoro-4-methoxyphenyl)-(3-propyltriazol-4-yl)methanol
CID 114685101
(4-methylphenyl)-(3-propyltriazol-4-yl)methanol
CID 114684818
(4-chloro-2-methoxyphenyl)-(3-propyltriazol-4-yl)methanol
CID 115834072
(4-bromo-3-methylphenyl)-(3-propyltriazol-4-yl)methanol
CID 114685279
(7-methoxy-1,3-benzodioxol-5-yl)-(3-propyltriazol-4-yl)methanol
CID 114685479
(3,5-dimethylphenyl)-(3-propyltriazol-4-yl)methanol
CID 114684920
(3-propyltriazol-4-yl)-pyridazin-4-ylmethanol
CID 105126997
(3-propyltriazol-4-yl)-(3,4,5-trifluorophenyl)methanol
CID 114684911
(4-methoxy-3-methylphenyl)-(3-methyltriazol-4-yl)methanol
CID 114684884
(3,4-dimethoxyphenyl)-(3-methylimidazol-4-yl)methanol
CID 66116292
(3-bromo-4-methoxyphenyl)-(3-methyltriazol-4-yl)methanol
CID 114684704
2-(2-methoxyphenyl)-1-(3-propyltriazol-4-yl)ethanol
CID 114686339

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(3-propyltriazol-4-yl)methanol?
The IUPAC name of (3,4-dimethoxyphenyl)-(3-propyltriazol-4-yl)methanol (CID 114684701) is (3,4-dimethoxyphenyl)-(3-propyltriazol-4-yl)methanol.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(3-propyltriazol-4-yl)methanol?
The canonical SMILES for (3,4-dimethoxyphenyl)-(3-propyltriazol-4-yl)methanol is CCCn1nncc1C(O)c1ccc(OC)c(OC)c1.
What is the InChIKey of (3,4-dimethoxyphenyl)-(3-propyltriazol-4-yl)methanol?
The InChIKey is TZJNVMMBSUMFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-4-7-17-11(9-15-16-17)14(18)10-5-6-12(19-2)13(8-10)20-3/h5-6,8-9,14,18H,4,7H2,1-3H3.
What are the key properties of (3,4-dimethoxyphenyl)-(3-propyltriazol-4-yl)methanol?
(3,4-dimethoxyphenyl)-(3-propyltriazol-4-yl)methanol has a molecular weight of 277.32 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-(3-propyltriazol-4-yl)methanol is sourced from PubChem (CID 114684701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).