(3-chloro-5-methylphenyl)-(3-methyltriazol-4-yl)methanol

C11H12ClN3O — CID 115836020

IUPAC(3-chloro-5-methylphenyl)-(3-methyltriazol-4-yl)methanol
SMILESCc1cc(Cl)cc(C(O)c2cnnn2C)c1
InChIInChI=1S/C11H12ClN3O/c1-7-3-8(5-9(12)4-7)11(16)10-6-13-14-15(10)2/h3-6,11,16H,1-2H3
InChIKeyWTDDTPWTWTUWPD-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.86
Rot. Bonds2

About (3-chloro-5-methylphenyl)-(3-methyltriazol-4-yl)methanol

(3-chloro-5-methylphenyl)-(3-methyltriazol-4-yl)methanol (PubChem CID 115836020) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is (3-chloro-5-methylphenyl)-(3-methyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(3-chloro-5-methylphenyl)-(3-methyltriazol-4-yl)methanol
PubChem CID115836020
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name(3-chloro-5-methylphenyl)-(3-methyltriazol-4-yl)methanol
SMILESCc1cc(Cl)cc(C(O)c2cnnn2C)c1
InChIInChI=1S/C11H12ClN3O/c1-7-3-8(5-9(12)4-7)11(16)10-6-13-14-15(10)2/h3-6,11,16H,1-2H3
InChIKeyWTDDTPWTWTUWPD-UHFFFAOYSA-N
XLogP1.86
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-bromo-5-chlorophenyl)-(3-methyltriazol-4-yl)methanol
CID 107947817
(3-chlorophenyl)-(3-methyltriazol-4-yl)methanol
CID 114684801
(3,5-dimethylphenyl)-(3-propyltriazol-4-yl)methanol
CID 114684920
(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-bromo-4-methoxyphenyl)-(3-methyltriazol-4-yl)methanol
CID 114684704
(3,5-dimethylphenyl)-(2-methylpyrazol-3-yl)methanol
CID 63960732
(3-chloro-5-fluorophenyl)-(3-phenyltriazol-4-yl)methanol
CID 114685520
1-(3-chloro-5-methylphenyl)propan-1-ol
CID 115787792
(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(3-methyltriazol-4-yl)methanol
CID 114684944
(4-bromothiophen-3-yl)-(3-chloro-5-methylphenyl)methanol
CID 115820132

Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-methylphenyl)-(3-methyltriazol-4-yl)methanol?
The IUPAC name of (3-chloro-5-methylphenyl)-(3-methyltriazol-4-yl)methanol (CID 115836020) is (3-chloro-5-methylphenyl)-(3-methyltriazol-4-yl)methanol.
What is the SMILES notation for (3-chloro-5-methylphenyl)-(3-methyltriazol-4-yl)methanol?
The canonical SMILES for (3-chloro-5-methylphenyl)-(3-methyltriazol-4-yl)methanol is Cc1cc(Cl)cc(C(O)c2cnnn2C)c1.
What is the InChIKey of (3-chloro-5-methylphenyl)-(3-methyltriazol-4-yl)methanol?
The InChIKey is WTDDTPWTWTUWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-7-3-8(5-9(12)4-7)11(16)10-6-13-14-15(10)2/h3-6,11,16H,1-2H3.
What are the key properties of (3-chloro-5-methylphenyl)-(3-methyltriazol-4-yl)methanol?
(3-chloro-5-methylphenyl)-(3-methyltriazol-4-yl)methanol has a molecular weight of 237.69 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-methylphenyl)-(3-methyltriazol-4-yl)methanol is sourced from PubChem (CID 115836020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).