(4-chloro-2-methoxyphenyl)-(3-propyltriazol-4-yl)methanol

C13H16ClN3O2 — CID 115834072

IUPAC(4-chloro-2-methoxyphenyl)-(3-propyltriazol-4-yl)methanol
SMILESCCCn1nncc1C(O)c1ccc(Cl)cc1OC
InChIInChI=1S/C13H16ClN3O2/c1-3-6-17-11(8-15-16-17)13(18)10-5-4-9(14)7-12(10)19-2/h4-5,7-8,13,18H,3,6H2,1-2H3
InChIKeyRSBYGHBHXVYRID-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.43
Rot. Bonds5

About (4-chloro-2-methoxyphenyl)-(3-propyltriazol-4-yl)methanol

(4-chloro-2-methoxyphenyl)-(3-propyltriazol-4-yl)methanol (PubChem CID 115834072) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is (4-chloro-2-methoxyphenyl)-(3-propyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(4-chloro-2-methoxyphenyl)-(3-propyltriazol-4-yl)methanol
PubChem CID115834072
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name(4-chloro-2-methoxyphenyl)-(3-propyltriazol-4-yl)methanol
SMILESCCCn1nncc1C(O)c1ccc(Cl)cc1OC
InChIInChI=1S/C13H16ClN3O2/c1-3-6-17-11(8-15-16-17)13(18)10-5-4-9(14)7-12(10)19-2/h4-5,7-8,13,18H,3,6H2,1-2H3
InChIKeyRSBYGHBHXVYRID-UHFFFAOYSA-N
XLogP2.43
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,4-dimethoxyphenyl)-(3-propyltriazol-4-yl)methanol
CID 114684701
(3-fluoro-4-methoxyphenyl)-(3-propyltriazol-4-yl)methanol
CID 114685101
(2,4-dibromophenyl)-(3-propyltriazol-4-yl)methanol
CID 114019485
(2,4-dichlorophenyl)-(3-propyltriazol-4-yl)methanamine
CID 105038562
(2,4-dimethoxyphenyl)-(3-propyltriazol-4-yl)methanamine
CID 105038798
1-(4-chloro-2-methoxyphenyl)propan-1-ol
CID 115787726
(4-methylphenyl)-(3-propyltriazol-4-yl)methanol
CID 114684818
2-(2-methoxyphenyl)-1-(3-propyltriazol-4-yl)ethanol
CID 114686339
1-(4-chloro-2-methoxyphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 115857351
(7-methoxy-1,3-benzodioxol-5-yl)-(3-propyltriazol-4-yl)methanol
CID 114685479
(3-propyltriazol-4-yl)-(3,4,5-trifluorophenyl)methanol
CID 114684911
(1R)-1-(4-chloro-2-methoxyphenyl)butan-1-ol
CID 106820012

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methoxyphenyl)-(3-propyltriazol-4-yl)methanol?
The IUPAC name of (4-chloro-2-methoxyphenyl)-(3-propyltriazol-4-yl)methanol (CID 115834072) is (4-chloro-2-methoxyphenyl)-(3-propyltriazol-4-yl)methanol.
What is the SMILES notation for (4-chloro-2-methoxyphenyl)-(3-propyltriazol-4-yl)methanol?
The canonical SMILES for (4-chloro-2-methoxyphenyl)-(3-propyltriazol-4-yl)methanol is CCCn1nncc1C(O)c1ccc(Cl)cc1OC.
What is the InChIKey of (4-chloro-2-methoxyphenyl)-(3-propyltriazol-4-yl)methanol?
The InChIKey is RSBYGHBHXVYRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-3-6-17-11(8-15-16-17)13(18)10-5-4-9(14)7-12(10)19-2/h4-5,7-8,13,18H,3,6H2,1-2H3.
What are the key properties of (4-chloro-2-methoxyphenyl)-(3-propyltriazol-4-yl)methanol?
(4-chloro-2-methoxyphenyl)-(3-propyltriazol-4-yl)methanol has a molecular weight of 281.74 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methoxyphenyl)-(3-propyltriazol-4-yl)methanol is sourced from PubChem (CID 115834072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).