3-hydroxy-4-methoxybenzonitrile;methanol

C9H11NO3 — CID 174363107

IUPAC3-hydroxy-4-methoxybenzonitrile;methanol
SMILESCO.COc1ccc(C#N)cc1O
InChIInChI=1S/C8H7NO2.CH4O/c1-11-8-3-2-6(5-9)4-7(8)10;1-2/h2-4,10H,1H3;2H,1H3
InChIKeyQXGPVVXTYPJTAH-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.88
Rot. Bonds1

About 3-hydroxy-4-methoxybenzonitrile;methanol

3-hydroxy-4-methoxybenzonitrile;methanol (PubChem CID 174363107) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 3-hydroxy-4-methoxybenzonitrile;methanol.

Molecular Properties

Compound Name3-hydroxy-4-methoxybenzonitrile;methanol
PubChem CID174363107
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name3-hydroxy-4-methoxybenzonitrile;methanol
SMILESCO.COc1ccc(C#N)cc1O
InChIInChI=1S/C8H7NO2.CH4O/c1-11-8-3-2-6(5-9)4-7(8)10;1-2/h2-4,10H,1H3;2H,1H3
InChIKeyQXGPVVXTYPJTAH-UHFFFAOYSA-N
XLogP0.88
TPSA73.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-hydroxy-7-methoxynaphthalene-2-carbonitrile
CID 121009113
3-[(Z)-hydroxyiminomethyl]-4-methoxybenzonitrile
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4-(2,4-dimethylphenoxy)-3-hydroxybenzonitrile
CID 143183176
N-(4-cyanophenyl)-3-hydroxy-4-methoxybenzamide
CID 79726945
3-(5-chloro-2-hydroxyphenyl)-4-methoxybenzonitrile
CID 106951592
methoxyethane;4-methoxy-3-methylbenzonitrile
CID 142549662
(4-cyano-2-methoxyphenoxy)boronic acid
CID 153409326
3-hydroxy-4-(3-methylphenoxy)benzonitrile
CID 143183163
8-fluoro-4-hydroxy-5-methoxynaphthalene-2-carbonitrile
CID 58409495
3-methoxy-4-sulfanylbenzonitrile
CID 4713200
4-(4-chlorophenoxy)-3-hydroxybenzonitrile
CID 135373937
4-[(E)-hydroxyiminomethyl]-3-methoxybenzonitrile
CID 16659220

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methoxybenzonitrile;methanol?
The IUPAC name of 3-hydroxy-4-methoxybenzonitrile;methanol (CID 174363107) is 3-hydroxy-4-methoxybenzonitrile;methanol.
What is the SMILES notation for 3-hydroxy-4-methoxybenzonitrile;methanol?
The canonical SMILES for 3-hydroxy-4-methoxybenzonitrile;methanol is CO.COc1ccc(C#N)cc1O.
What is the InChIKey of 3-hydroxy-4-methoxybenzonitrile;methanol?
The InChIKey is QXGPVVXTYPJTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2.CH4O/c1-11-8-3-2-6(5-9)4-7(8)10;1-2/h2-4,10H,1H3;2H,1H3.
What are the key properties of 3-hydroxy-4-methoxybenzonitrile;methanol?
3-hydroxy-4-methoxybenzonitrile;methanol has a molecular weight of 181.19 g/mol, XLogP of 0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methoxybenzonitrile;methanol is sourced from PubChem (CID 174363107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).