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

C14H18ClN3O2 — CID 82197569

IUPAC[1-(4-chloro-2-methoxy-5-methylphenyl)-5-propan-2-yltriazol-4-yl]methanol
SMILESCOc1cc(Cl)c(C)cc1-n1nnc(CO)c1C(C)C
InChIInChI=1S/C14H18ClN3O2/c1-8(2)14-11(7-19)16-17-18(14)12-5-9(3)10(15)6-13(12)20-4/h5-6,8,19H,7H2,1-4H3
InChIKeyBTHFKLDUTYQFJH-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.85
Rot. Bonds4

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

[1-(4-chloro-2-methoxy-5-methylphenyl)-5-propan-2-yltriazol-4-yl]methanol (PubChem CID 82197569) 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-propan-2-yltriazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(4-chloro-2-methoxy-5-methylphenyl)-5-propan-2-yltriazol-4-yl]methanol
PubChem CID82197569
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name[1-(4-chloro-2-methoxy-5-methylphenyl)-5-propan-2-yltriazol-4-yl]methanol
SMILESCOc1cc(Cl)c(C)cc1-n1nnc(CO)c1C(C)C
InChIInChI=1S/C14H18ClN3O2/c1-8(2)14-11(7-19)16-17-18(14)12-5-9(3)10(15)6-13(12)20-4/h5-6,8,19H,7H2,1-4H3
InChIKeyBTHFKLDUTYQFJH-UHFFFAOYSA-N
XLogP2.85
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(4-chloro-2-methoxy-5-methylphenyl)-5-propan-2-yltriazol-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(4-chloro-2-methoxy-5-methylphenyl)-5-propyltriazol-4-yl]methanol
CID 82197565
[1-(4-chloro-2-methoxy-5-methylphenyl)-5-ethyltriazol-4-yl]methanamine
CID 82197582
[1-(4-chloro-2,5-dimethoxyphenyl)-5-ethyltriazol-4-yl]methanol
CID 82197279
1-(4-chloro-2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide
CID 82197593
[1-(3-chloro-4-fluorophenyl)-5-propan-2-yltriazol-4-yl]methanol
CID 82195368
N-[1-[1-(4-chloro-2-methoxy-5-methylphenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085140
[1-(2,5-dimethoxyphenyl)-5-propan-2-yltriazol-4-yl]methanamine
CID 82198669
N-[[1-(4-chloro-2-methoxy-5-methylphenyl)tetrazol-5-yl]methyl]ethanamine
CID 62736292
4-(4-chloro-2-methoxy-5-methylphenyl)-1,2,4-triazole
CID 50983973
1-(4-chloro-2-methoxy-5-methylphenyl)-5-cyclobutyltriazole-4-carbaldehyde
CID 94937951
1-(4-chloro-2,5-dimethoxyphenyl)-5-methyltriazole-4-carboxylic acid
CID 82200947
3-chloro-4-(4-chloro-2-methoxy-5-methylphenyl)-5-ethyl-1,2,4-triazole
CID 63384620

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-2-methoxy-5-methylphenyl)-5-propan-2-yltriazol-4-yl]methanol?
The IUPAC name of [1-(4-chloro-2-methoxy-5-methylphenyl)-5-propan-2-yltriazol-4-yl]methanol (CID 82197569) is [1-(4-chloro-2-methoxy-5-methylphenyl)-5-propan-2-yltriazol-4-yl]methanol.
What is the SMILES notation for [1-(4-chloro-2-methoxy-5-methylphenyl)-5-propan-2-yltriazol-4-yl]methanol?
The canonical SMILES for [1-(4-chloro-2-methoxy-5-methylphenyl)-5-propan-2-yltriazol-4-yl]methanol is COc1cc(Cl)c(C)cc1-n1nnc(CO)c1C(C)C.
What is the InChIKey of [1-(4-chloro-2-methoxy-5-methylphenyl)-5-propan-2-yltriazol-4-yl]methanol?
The InChIKey is BTHFKLDUTYQFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-8(2)14-11(7-19)16-17-18(14)12-5-9(3)10(15)6-13(12)20-4/h5-6,8,19H,7H2,1-4H3.
What are the key properties of [1-(4-chloro-2-methoxy-5-methylphenyl)-5-propan-2-yltriazol-4-yl]methanol?
[1-(4-chloro-2-methoxy-5-methylphenyl)-5-propan-2-yltriazol-4-yl]methanol has a molecular weight of 295.77 g/mol, XLogP of 2.85, 4 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-propan-2-yltriazol-4-yl]methanol is sourced from PubChem (CID 82197569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).