2,4-dihydroxy-5-(2-hydroxypropyl)benzonitrile

C10H11NO3 — CID 117283464

IUPAC2,4-dihydroxy-5-(2-hydroxypropyl)benzonitrile
SMILESCC(O)Cc1cc(C#N)c(O)cc1O
InChIInChI=1S/C10H11NO3/c1-6(12)2-7-3-8(5-11)10(14)4-9(7)13/h3-4,6,12-14H,2H2,1H3
InChIKeyXQIFQTQJKMGLDU-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.89
Rot. Bonds2

About 2,4-dihydroxy-5-(2-hydroxypropyl)benzonitrile

2,4-dihydroxy-5-(2-hydroxypropyl)benzonitrile (PubChem CID 117283464) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 2,4-dihydroxy-5-(2-hydroxypropyl)benzonitrile.

Molecular Properties

Compound Name2,4-dihydroxy-5-(2-hydroxypropyl)benzonitrile
PubChem CID117283464
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name2,4-dihydroxy-5-(2-hydroxypropyl)benzonitrile
SMILESCC(O)Cc1cc(C#N)c(O)cc1O
InChIInChI=1S/C10H11NO3/c1-6(12)2-7-3-8(5-11)10(14)4-9(7)13/h3-4,6,12-14H,2H2,1H3
InChIKeyXQIFQTQJKMGLDU-UHFFFAOYSA-N
XLogP0.89
TPSA84.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-5-(2-hydroxypropyl)benzonitrile?
The IUPAC name of 2,4-dihydroxy-5-(2-hydroxypropyl)benzonitrile (CID 117283464) is 2,4-dihydroxy-5-(2-hydroxypropyl)benzonitrile.
What is the SMILES notation for 2,4-dihydroxy-5-(2-hydroxypropyl)benzonitrile?
The canonical SMILES for 2,4-dihydroxy-5-(2-hydroxypropyl)benzonitrile is CC(O)Cc1cc(C#N)c(O)cc1O.
What is the InChIKey of 2,4-dihydroxy-5-(2-hydroxypropyl)benzonitrile?
The InChIKey is XQIFQTQJKMGLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-6(12)2-7-3-8(5-11)10(14)4-9(7)13/h3-4,6,12-14H,2H2,1H3.
What are the key properties of 2,4-dihydroxy-5-(2-hydroxypropyl)benzonitrile?
2,4-dihydroxy-5-(2-hydroxypropyl)benzonitrile has a molecular weight of 193.20 g/mol, XLogP of 0.89, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-5-(2-hydroxypropyl)benzonitrile is sourced from PubChem (CID 117283464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).