[4-(1,2,4-benzotriazin-3-yloxy)-3-methoxyphenyl]methanol

C15H13N3O3 — CID 107743997

IUPAC[4-(1,2,4-benzotriazin-3-yloxy)-3-methoxyphenyl]methanol
SMILESCOc1cc(CO)ccc1Oc1nnc2ccccc2n1
InChIInChI=1S/C15H13N3O3/c1-20-14-8-10(9-19)6-7-13(14)21-15-16-11-4-2-3-5-12(11)17-18-15/h2-8,19H,9H2,1H3
InChIKeyKJRLKWBBQXHCFI-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.32
Rot. Bonds4

About [4-(1,2,4-benzotriazin-3-yloxy)-3-methoxyphenyl]methanol

[4-(1,2,4-benzotriazin-3-yloxy)-3-methoxyphenyl]methanol (PubChem CID 107743997) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is [4-(1,2,4-benzotriazin-3-yloxy)-3-methoxyphenyl]methanol.

Molecular Properties

Compound Name[4-(1,2,4-benzotriazin-3-yloxy)-3-methoxyphenyl]methanol
PubChem CID107743997
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name[4-(1,2,4-benzotriazin-3-yloxy)-3-methoxyphenyl]methanol
SMILESCOc1cc(CO)ccc1Oc1nnc2ccccc2n1
InChIInChI=1S/C15H13N3O3/c1-20-14-8-10(9-19)6-7-13(14)21-15-16-11-4-2-3-5-12(11)17-18-15/h2-8,19H,9H2,1H3
InChIKeyKJRLKWBBQXHCFI-UHFFFAOYSA-N
XLogP2.32
TPSA77.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-methoxy-4-pyridin-2-yloxyphenyl)methanol
CID 103610323
[4-methoxy-3-(pyrimidin-2-ylmethoxy)phenyl]methanol
CID 62700689
[4-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)oxy]-3-methoxyphenyl]methanol
CID 107745217
2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzamide
CID 107743803
[4-(5,6-dimethylpyrazin-2-yl)oxy-3-methoxyphenyl]methanol
CID 107744072
[4-[6-(hydroxymethyl)pyrazin-2-yl]oxy-3-methoxyphenyl]methanol
CID 107744185
2-[4-(hydroxymethyl)-2-methoxyphenoxy]pyrimidine-4-carboxylic acid
CID 107744872
[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methanol
CID 139947952
(3-methoxy-4-phosphanyloxyphenyl)methanol
CID 89023367
[4-[[6-(ethylamino)-2-pyridinyl]oxy]-3-methoxyphenyl]methanol
CID 107745044
[4-[3-chloro-2-(hydroxymethyl)phenoxy]-3-methoxyphenyl]methanol
CID 107743505
[4-(2-methoxyphenoxy)phenyl]methanol
CID 28946116

Frequently Asked Questions

What is the IUPAC name of [4-(1,2,4-benzotriazin-3-yloxy)-3-methoxyphenyl]methanol?
The IUPAC name of [4-(1,2,4-benzotriazin-3-yloxy)-3-methoxyphenyl]methanol (CID 107743997) is [4-(1,2,4-benzotriazin-3-yloxy)-3-methoxyphenyl]methanol.
What is the SMILES notation for [4-(1,2,4-benzotriazin-3-yloxy)-3-methoxyphenyl]methanol?
The canonical SMILES for [4-(1,2,4-benzotriazin-3-yloxy)-3-methoxyphenyl]methanol is COc1cc(CO)ccc1Oc1nnc2ccccc2n1.
What is the InChIKey of [4-(1,2,4-benzotriazin-3-yloxy)-3-methoxyphenyl]methanol?
The InChIKey is KJRLKWBBQXHCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-20-14-8-10(9-19)6-7-13(14)21-15-16-11-4-2-3-5-12(11)17-18-15/h2-8,19H,9H2,1H3.
What are the key properties of [4-(1,2,4-benzotriazin-3-yloxy)-3-methoxyphenyl]methanol?
[4-(1,2,4-benzotriazin-3-yloxy)-3-methoxyphenyl]methanol has a molecular weight of 283.29 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,2,4-benzotriazin-3-yloxy)-3-methoxyphenyl]methanol is sourced from PubChem (CID 107743997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).