(3-methoxyphenyl)-(3-phenyltriazol-4-yl)methanol

C16H15N3O2 — CID 114684694

IUPAC(3-methoxyphenyl)-(3-phenyltriazol-4-yl)methanol
SMILESCOc1cccc(C(O)c2cnnn2-c2ccccc2)c1
InChIInChI=1S/C16H15N3O2/c1-21-14-9-5-6-12(10-14)16(20)15-11-17-18-19(15)13-7-3-2-4-8-13/h2-11,16,20H,1H3
InChIKeyAUBUSSULRDXGST-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.36
Rot. Bonds4

About (3-methoxyphenyl)-(3-phenyltriazol-4-yl)methanol

(3-methoxyphenyl)-(3-phenyltriazol-4-yl)methanol (PubChem CID 114684694) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is (3-methoxyphenyl)-(3-phenyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(3-methoxyphenyl)-(3-phenyltriazol-4-yl)methanol
PubChem CID114684694
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name(3-methoxyphenyl)-(3-phenyltriazol-4-yl)methanol
SMILESCOc1cccc(C(O)c2cnnn2-c2ccccc2)c1
InChIInChI=1S/C16H15N3O2/c1-21-14-9-5-6-12(10-14)16(20)15-11-17-18-19(15)13-7-3-2-4-8-13/h2-11,16,20H,1H3
InChIKeyAUBUSSULRDXGST-UHFFFAOYSA-N
XLogP2.36
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-fluorophenyl)-(3-phenyltriazol-4-yl)methanol
CID 114684808
(3,4-difluorophenyl)-(3-phenyltriazol-4-yl)methanol
CID 114684827
(3-methoxyphenyl)-(1-phenylpyrazol-4-yl)methanol
CID 61088954
1-[3-(3-methoxyphenyl)triazol-4-yl]-N-methylethanamine
CID 117167252
(3-phenyltriazol-4-yl)-pyridazin-4-ylmethanol
CID 105128605
(3-methoxyphenyl)-(3-phenyltriazol-4-yl)methanone
CID 114685545
(3-ethylimidazol-4-yl)-(3-methoxyphenyl)methanol
CID 66135157
(3-chloro-4-iodophenyl)-(3-phenyltriazol-4-yl)methanol
CID 103217123
(R)-(3-methoxyphenyl)-(1-methylpyrrol-2-yl)methanol
CID 97293101
(3-chloro-5-fluorophenyl)-(3-phenyltriazol-4-yl)methanol
CID 114685520
3-(3-methoxyphenyl)triazol-4-amine
CID 105444137
1-(3-methoxyphenyl)-3-(3-phenyltriazol-4-yl)propan-1-one
CID 46890426

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-(3-phenyltriazol-4-yl)methanol?
The IUPAC name of (3-methoxyphenyl)-(3-phenyltriazol-4-yl)methanol (CID 114684694) is (3-methoxyphenyl)-(3-phenyltriazol-4-yl)methanol.
What is the SMILES notation for (3-methoxyphenyl)-(3-phenyltriazol-4-yl)methanol?
The canonical SMILES for (3-methoxyphenyl)-(3-phenyltriazol-4-yl)methanol is COc1cccc(C(O)c2cnnn2-c2ccccc2)c1.
What is the InChIKey of (3-methoxyphenyl)-(3-phenyltriazol-4-yl)methanol?
The InChIKey is AUBUSSULRDXGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-21-14-9-5-6-12(10-14)16(20)15-11-17-18-19(15)13-7-3-2-4-8-13/h2-11,16,20H,1H3.
What are the key properties of (3-methoxyphenyl)-(3-phenyltriazol-4-yl)methanol?
(3-methoxyphenyl)-(3-phenyltriazol-4-yl)methanol has a molecular weight of 281.32 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-(3-phenyltriazol-4-yl)methanol is sourced from PubChem (CID 114684694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).