4-hydroxy-5-(1-hydroxyethyl)-2-methoxybenzonitrile

C10H11NO3 — CID 117283459

IUPAC4-hydroxy-5-(1-hydroxyethyl)-2-methoxybenzonitrile
SMILESCOc1cc(O)c(C(C)O)cc1C#N
InChIInChI=1S/C10H11NO3/c1-6(12)8-3-7(5-11)10(14-2)4-9(8)13/h3-4,6,12-13H,1-2H3
InChIKeyJIWQQIHLQFQDQO-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.33
Rot. Bonds2

About 4-hydroxy-5-(1-hydroxyethyl)-2-methoxybenzonitrile

4-hydroxy-5-(1-hydroxyethyl)-2-methoxybenzonitrile (PubChem CID 117283459) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 4-hydroxy-5-(1-hydroxyethyl)-2-methoxybenzonitrile.

Molecular Properties

Compound Name4-hydroxy-5-(1-hydroxyethyl)-2-methoxybenzonitrile
PubChem CID117283459
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name4-hydroxy-5-(1-hydroxyethyl)-2-methoxybenzonitrile
SMILESCOc1cc(O)c(C(C)O)cc1C#N
InChIInChI=1S/C10H11NO3/c1-6(12)8-3-7(5-11)10(14-2)4-9(8)13/h3-4,6,12-13H,1-2H3
InChIKeyJIWQQIHLQFQDQO-UHFFFAOYSA-N
XLogP1.33
TPSA73.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-5-(1-hydroxypropan-2-yl)-2-methoxybenzonitrile
CID 117295775
5-(1-fluoroethyl)-2,4-dimethoxybenzonitrile
CID 117298364
2,4-dimethoxy-5-propan-2-ylbenzonitrile
CID 117293477
4-chloro-2-(1-hydroxyethyl)-5-methoxyphenol
CID 117291182
4-[[2-[(1R)-1-hydroxyethyl]phenoxy]methyl]-2-methoxybenzonitrile
CID 106792150
(1R)-1-(2,4,5-trimethoxyphenyl)ethanol
CID 163198569
2-methoxy-4-propan-2-ylbenzonitrile
CID 82490541
4-hydroxy-5-(1-hydroxy-2-methylpropan-2-yl)-2-methoxybenzonitrile
CID 117315555
5-(1-hydroxyethyl)-2,3-dimethoxybenzonitrile
CID 117295608
3-(5-cyano-2-hydroxy-4-methoxyphenyl)propanoic acid
CID 117315274
5-(2-aminooxyethyl)-4-hydroxy-2-methoxybenzonitrile
CID 117297311
2-(1-fluoroethyl)-4,5-dimethoxyphenol
CID 84669374

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(1-hydroxyethyl)-2-methoxybenzonitrile?
The IUPAC name of 4-hydroxy-5-(1-hydroxyethyl)-2-methoxybenzonitrile (CID 117283459) is 4-hydroxy-5-(1-hydroxyethyl)-2-methoxybenzonitrile.
What is the SMILES notation for 4-hydroxy-5-(1-hydroxyethyl)-2-methoxybenzonitrile?
The canonical SMILES for 4-hydroxy-5-(1-hydroxyethyl)-2-methoxybenzonitrile is COc1cc(O)c(C(C)O)cc1C#N.
What is the InChIKey of 4-hydroxy-5-(1-hydroxyethyl)-2-methoxybenzonitrile?
The InChIKey is JIWQQIHLQFQDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-6(12)8-3-7(5-11)10(14-2)4-9(8)13/h3-4,6,12-13H,1-2H3.
What are the key properties of 4-hydroxy-5-(1-hydroxyethyl)-2-methoxybenzonitrile?
4-hydroxy-5-(1-hydroxyethyl)-2-methoxybenzonitrile has a molecular weight of 193.20 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(1-hydroxyethyl)-2-methoxybenzonitrile is sourced from PubChem (CID 117283459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).