[1-(4-chloro-2-methoxy-5-methylphenyl)-5-propyltriazol-4-yl]methanol

C14H18ClN3O2 — CID 82197565

IUPAC[1-(4-chloro-2-methoxy-5-methylphenyl)-5-propyltriazol-4-yl]methanol
SMILESCCCc1c(CO)nnn1-c1cc(C)c(Cl)cc1OC
InChIInChI=1S/C14H18ClN3O2/c1-4-5-12-11(8-19)16-17-18(12)13-6-9(2)10(15)7-14(13)20-3/h6-7,19H,4-5,8H2,1-3H3
InChIKeyQPCHXIMKCIQJSL-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.68
Rot. Bonds5

About [1-(4-chloro-2-methoxy-5-methylphenyl)-5-propyltriazol-4-yl]methanol

[1-(4-chloro-2-methoxy-5-methylphenyl)-5-propyltriazol-4-yl]methanol (PubChem CID 82197565) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is [1-(4-chloro-2-methoxy-5-methylphenyl)-5-propyltriazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(4-chloro-2-methoxy-5-methylphenyl)-5-propyltriazol-4-yl]methanol
PubChem CID82197565
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name[1-(4-chloro-2-methoxy-5-methylphenyl)-5-propyltriazol-4-yl]methanol
SMILESCCCc1c(CO)nnn1-c1cc(C)c(Cl)cc1OC
InChIInChI=1S/C14H18ClN3O2/c1-4-5-12-11(8-19)16-17-18(12)13-6-9(2)10(15)7-14(13)20-3/h6-7,19H,4-5,8H2,1-3H3
InChIKeyQPCHXIMKCIQJSL-UHFFFAOYSA-N
XLogP2.68
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-chloro-2,5-dimethoxyphenyl)-5-ethyltriazol-4-yl]methanol
CID 82197279
[1-(2,4-dimethoxyphenyl)-5-propyltriazol-4-yl]methanol
CID 82197872
[1-(4-chloro-2-methoxy-5-methylphenyl)-5-propan-2-yltriazol-4-yl]methanol
CID 82197569
[1-(4-chloro-2-methoxy-5-methylphenyl)-5-ethyltriazol-4-yl]methanamine
CID 82197582
N-[[1-(4-chloro-2-methoxy-5-methylphenyl)tetrazol-5-yl]methyl]ethanamine
CID 62736292
1-(4-chloro-2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide
CID 82197593
[5-butyl-1-(2,5-dimethylphenyl)triazol-4-yl]methanol
CID 82195788
4-(4-chloro-2-methoxy-5-methylphenyl)-1,2,4-triazole
CID 50983973
N-[1-[1-(4-chloro-2-methoxy-5-methylphenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085140
3-chloro-4-(4-chloro-2-methoxy-5-methylphenyl)-5-ethyl-1,2,4-triazole
CID 63384620
1-(2-bromo-5-chloro-4-methylphenyl)-5-propyltriazole-4-carboxylic acid
CID 104724485
[1-(4-fluorophenyl)-5-propyltriazol-4-yl]methanol
CID 56686734

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-2-methoxy-5-methylphenyl)-5-propyltriazol-4-yl]methanol?
The IUPAC name of [1-(4-chloro-2-methoxy-5-methylphenyl)-5-propyltriazol-4-yl]methanol (CID 82197565) is [1-(4-chloro-2-methoxy-5-methylphenyl)-5-propyltriazol-4-yl]methanol.
What is the SMILES notation for [1-(4-chloro-2-methoxy-5-methylphenyl)-5-propyltriazol-4-yl]methanol?
The canonical SMILES for [1-(4-chloro-2-methoxy-5-methylphenyl)-5-propyltriazol-4-yl]methanol is CCCc1c(CO)nnn1-c1cc(C)c(Cl)cc1OC.
What is the InChIKey of [1-(4-chloro-2-methoxy-5-methylphenyl)-5-propyltriazol-4-yl]methanol?
The InChIKey is QPCHXIMKCIQJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-4-5-12-11(8-19)16-17-18(12)13-6-9(2)10(15)7-14(13)20-3/h6-7,19H,4-5,8H2,1-3H3.
What are the key properties of [1-(4-chloro-2-methoxy-5-methylphenyl)-5-propyltriazol-4-yl]methanol?
[1-(4-chloro-2-methoxy-5-methylphenyl)-5-propyltriazol-4-yl]methanol has a molecular weight of 295.77 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-2-methoxy-5-methylphenyl)-5-propyltriazol-4-yl]methanol is sourced from PubChem (CID 82197565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).