(3-chlorophenyl)-(3-methyltriazol-4-yl)methanol

C10H10ClN3O — CID 114684801

IUPAC(3-chlorophenyl)-(3-methyltriazol-4-yl)methanol
SMILESCn1nncc1C(O)c1cccc(Cl)c1
InChIInChI=1S/C10H10ClN3O/c1-14-9(6-12-13-14)10(15)7-3-2-4-8(11)5-7/h2-6,10,15H,1H3
InChIKeyQMTNHBNKTCMVBS-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.55
Rot. Bonds2

About (3-chlorophenyl)-(3-methyltriazol-4-yl)methanol

(3-chlorophenyl)-(3-methyltriazol-4-yl)methanol (PubChem CID 114684801) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is (3-chlorophenyl)-(3-methyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(3-chlorophenyl)-(3-methyltriazol-4-yl)methanol
PubChem CID114684801
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name(3-chlorophenyl)-(3-methyltriazol-4-yl)methanol
SMILESCn1nncc1C(O)c1cccc(Cl)c1
InChIInChI=1S/C10H10ClN3O/c1-14-9(6-12-13-14)10(15)7-3-2-4-8(11)5-7/h2-6,10,15H,1H3
InChIKeyQMTNHBNKTCMVBS-UHFFFAOYSA-N
XLogP1.55
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chloro-5-methylphenyl)-(3-methyltriazol-4-yl)methanol
CID 115836020
(3-bromo-5-chlorophenyl)-(3-methyltriazol-4-yl)methanol
CID 107947817
(4-chlorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol
CID 114685175
(4-methoxy-3-methylphenyl)-(3-methyltriazol-4-yl)methanol
CID 114684884
(2-chlorofuran-3-yl)-(3-methyltriazol-4-yl)methanol
CID 106694030
(3-chlorophenyl)-(3-propyltriazol-4-yl)methanamine
CID 114686950
2-(3-chlorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine
CID 114687049
1-[3-(3-chlorophenyl)triazol-4-yl]ethanol
CID 117167214
(3-methyltriazol-4-yl)-pyridin-2-ylmethanol
CID 114684772
4-[(3-chlorophenyl)-hydroxymethyl]-1-methylpyrrole-2-carboxylic acid
CID 12783812
4-[hydroxy-(3-methyltriazol-4-yl)methyl]-2-(2-methylphenyl)benzonitrile
CID 70134253
(3-chlorophenyl)-(3-phenylphenyl)methanol
CID 171366588

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(3-methyltriazol-4-yl)methanol?
The IUPAC name of (3-chlorophenyl)-(3-methyltriazol-4-yl)methanol (CID 114684801) is (3-chlorophenyl)-(3-methyltriazol-4-yl)methanol.
What is the SMILES notation for (3-chlorophenyl)-(3-methyltriazol-4-yl)methanol?
The canonical SMILES for (3-chlorophenyl)-(3-methyltriazol-4-yl)methanol is Cn1nncc1C(O)c1cccc(Cl)c1.
What is the InChIKey of (3-chlorophenyl)-(3-methyltriazol-4-yl)methanol?
The InChIKey is QMTNHBNKTCMVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c1-14-9(6-12-13-14)10(15)7-3-2-4-8(11)5-7/h2-6,10,15H,1H3.
What are the key properties of (3-chlorophenyl)-(3-methyltriazol-4-yl)methanol?
(3-chlorophenyl)-(3-methyltriazol-4-yl)methanol has a molecular weight of 223.66 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(3-methyltriazol-4-yl)methanol is sourced from PubChem (CID 114684801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).