[3-[(3-methylbenzotriazol-5-yl)methyl]phenyl]methanol

C15H15N3O — CID 134817734

IUPAC[3-[(3-methylbenzotriazol-5-yl)methyl]phenyl]methanol
SMILESCn1nnc2ccc(Cc3cccc(CO)c3)cc21
InChIInChI=1S/C15H15N3O/c1-18-15-9-12(5-6-14(15)16-17-18)7-11-3-2-4-13(8-11)10-19/h2-6,8-9,19H,7,10H2,1H3
InChIKeyCSSCVBUYJAGWCZ-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.05
Rot. Bonds3

About [3-[(3-methylbenzotriazol-5-yl)methyl]phenyl]methanol

[3-[(3-methylbenzotriazol-5-yl)methyl]phenyl]methanol (PubChem CID 134817734) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is [3-[(3-methylbenzotriazol-5-yl)methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[(3-methylbenzotriazol-5-yl)methyl]phenyl]methanol
PubChem CID134817734
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name[3-[(3-methylbenzotriazol-5-yl)methyl]phenyl]methanol
SMILESCn1nnc2ccc(Cc3cccc(CO)c3)cc21
InChIInChI=1S/C15H15N3O/c1-18-15-9-12(5-6-14(15)16-17-18)7-11-3-2-4-13(8-11)10-19/h2-6,8-9,19H,7,10H2,1H3
InChIKeyCSSCVBUYJAGWCZ-UHFFFAOYSA-N
XLogP2.05
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-4-methylphenol
CID 3764715
(1-methyl-1H-1,2,3-benzotriazol-5-yl)methanol
CID 2776552
2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-6-methylphenol
CID 3696191
2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-6-tert-butylphenol
CID 3828526
1-(4-Aminophenyl)-2-(benzotriazol-1-yl)ethanol
CID 15959245
2-(Benzotriazol-1-yl)-1-[4-(methylamino)phenyl]ethanol
CID 15959248
2-(Benzotriazol-1-yl)-1-(4-dimethylaminophenyl)ethanol
CID 15959249
2-[1-(1H-1,2,3-Benzotriazol-1-yl)ethyl]-6-methylphenol
CID 3803619
2-Tert-butyl-6-[(6-methylbenzotriazol-1-yl)methyl]phenol
CID 5173754
3-(Benzotriazol-1-yl)-1-phenylpropan-1-ol
CID 3525185
1-(Ethoxyphenylmethyl)-1H-benzotriazole
CID 3729020
(1-methyl-1H-1,2,3-benzotriazol-4-yl)methanol hydrochloride
CID 137942722

Frequently Asked Questions

What is the IUPAC name of [3-[(3-methylbenzotriazol-5-yl)methyl]phenyl]methanol?
The IUPAC name of [3-[(3-methylbenzotriazol-5-yl)methyl]phenyl]methanol (CID 134817734) is [3-[(3-methylbenzotriazol-5-yl)methyl]phenyl]methanol.
What is the SMILES notation for [3-[(3-methylbenzotriazol-5-yl)methyl]phenyl]methanol?
The canonical SMILES for [3-[(3-methylbenzotriazol-5-yl)methyl]phenyl]methanol is Cn1nnc2ccc(Cc3cccc(CO)c3)cc21.
What is the InChIKey of [3-[(3-methylbenzotriazol-5-yl)methyl]phenyl]methanol?
The InChIKey is CSSCVBUYJAGWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-18-15-9-12(5-6-14(15)16-17-18)7-11-3-2-4-13(8-11)10-19/h2-6,8-9,19H,7,10H2,1H3.
What are the key properties of [3-[(3-methylbenzotriazol-5-yl)methyl]phenyl]methanol?
[3-[(3-methylbenzotriazol-5-yl)methyl]phenyl]methanol has a molecular weight of 253.31 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-methylbenzotriazol-5-yl)methyl]phenyl]methanol is sourced from PubChem (CID 134817734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).