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

C14H12ClN3OS — CID 94935792

IUPAC[1-(4-chloro-2-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol
SMILESCc1cc(Cl)ccc1-n1nnc(CO)c1-c1cccs1
InChIInChI=1S/C14H12ClN3OS/c1-9-7-10(15)4-5-12(9)18-14(11(8-19)16-17-18)13-3-2-6-20-13/h2-7,19H,8H2,1H3
InChIKeyBJBKNYWVUWZSMU-UHFFFAOYSA-N
MW305.79 g/mol
LogP3.45
Rot. Bonds3

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

[1-(4-chloro-2-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol (PubChem CID 94935792) has the molecular formula C14H12ClN3OS and a molecular weight of 305.79 g/mol. Its IUPAC name is [1-(4-chloro-2-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(4-chloro-2-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol
PubChem CID94935792
Molecular FormulaC14H12ClN3OS
Molecular Weight305.79 g/mol
Exact Mass305.04
IUPAC Name[1-(4-chloro-2-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol
SMILESCc1cc(Cl)ccc1-n1nnc(CO)c1-c1cccs1
InChIInChI=1S/C14H12ClN3OS/c1-9-7-10(15)4-5-12(9)18-14(11(8-19)16-17-18)13-3-2-6-20-13/h2-7,19H,8H2,1H3
InChIKeyBJBKNYWVUWZSMU-UHFFFAOYSA-N
XLogP3.45
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2,4-dimethoxyphenyl)-5-thiophen-2-yltriazol-4-yl]methanol
CID 94938175
[1-(5-chloro-2-methylphenyl)-5-pyridin-4-yltriazol-4-yl]methanol
CID 82196326
[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-thiophen-2-yltriazol-4-yl]methanol
CID 94962827
[1-(4-chloro-2-methylphenyl)-5-cyclobutyltriazol-4-yl]methanol
CID 82195237
[1-(3-methylsulfanylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol
CID 82200897
N-[3-[4-(hydroxymethyl)-5-thiophen-2-yltriazol-1-yl]phenyl]acetamide
CID 94938963
[1-(4-butylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol
CID 94936106
[1-(4-chloro-2-methylphenyl)-5-methyltriazol-4-yl]methanamine
CID 82195240
1-(4-chloro-2-methylphenyl)-5-phenyltriazole-4-carboxylic acid
CID 94940403
[1-(2-methoxy-5-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanamine
CID 82200714
1-(5-chloro-2-methoxyphenyl)-5-thiophen-2-yltriazole-4-carbonitrile
CID 94938759
[5-(3-chlorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanol
CID 56769387

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-2-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol?
The IUPAC name of [1-(4-chloro-2-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol (CID 94935792) is [1-(4-chloro-2-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol.
What is the SMILES notation for [1-(4-chloro-2-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol?
The canonical SMILES for [1-(4-chloro-2-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol is Cc1cc(Cl)ccc1-n1nnc(CO)c1-c1cccs1.
What is the InChIKey of [1-(4-chloro-2-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol?
The InChIKey is BJBKNYWVUWZSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3OS/c1-9-7-10(15)4-5-12(9)18-14(11(8-19)16-17-18)13-3-2-6-20-13/h2-7,19H,8H2,1H3.
What are the key properties of [1-(4-chloro-2-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol?
[1-(4-chloro-2-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol has a molecular weight of 305.79 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-2-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol is sourced from PubChem (CID 94935792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).