2-chloro-4-(3-hydroxyprop-1-enyl)benzonitrile

C10H8ClNO — CID 169453327

IUPAC2-chloro-4-(3-hydroxyprop-1-enyl)benzonitrile
SMILESN#Cc1ccc(C=CCO)cc1Cl
InChIInChI=1S/C10H8ClNO/c11-10-6-8(2-1-5-13)3-4-9(10)7-12/h1-4,6,13H,5H2
InChIKeyGIEZVIOYZGUSFX-UHFFFAOYSA-N
MW193.63 g/mol
LogP2.22
Rot. Bonds2

About 2-chloro-4-(3-hydroxyprop-1-enyl)benzonitrile

2-chloro-4-(3-hydroxyprop-1-enyl)benzonitrile (PubChem CID 169453327) has the molecular formula C10H8ClNO and a molecular weight of 193.63 g/mol. Its IUPAC name is 2-chloro-4-(3-hydroxyprop-1-enyl)benzonitrile.

Molecular Properties

Compound Name2-chloro-4-(3-hydroxyprop-1-enyl)benzonitrile
PubChem CID169453327
Molecular FormulaC10H8ClNO
Molecular Weight193.63 g/mol
Exact Mass193.03
IUPAC Name2-chloro-4-(3-hydroxyprop-1-enyl)benzonitrile
SMILESN#Cc1ccc(C=CCO)cc1Cl
InChIInChI=1S/C10H8ClNO/c11-10-6-8(2-1-5-13)3-4-9(10)7-12/h1-4,6,13H,5H2
InChIKeyGIEZVIOYZGUSFX-UHFFFAOYSA-N
XLogP2.22
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.63
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-hydroxyprop-1-enyl)-2-methylbenzonitrile
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2-chloro-4-[(E)-3-hydroxyprop-1-enyl]phenol
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3-(4-bromo-3-chlorophenyl)prop-2-en-1-ol
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2-chloro-4-methanethioylbenzonitrile
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2-chloro-4-(hydroxyiminomethyl)benzonitrile
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3-(3-amino-4-chlorophenyl)prop-2-en-1-ol
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3-(4-chloro-3-nitrophenyl)prop-2-en-1-ol
CID 79334896
3-(3-chloro-4-ethoxyphenyl)prop-2-en-1-ol
CID 141410707
(E)-3-(4-chloro-3-methoxyphenyl)prop-2-en-1-ol
CID 130131205
2-chloro-4-(3-phenylprop-2-enoxy)benzonitrile
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4-(4-hydroxybut-1-enyl)-2-methoxybenzonitrile
CID 170477013
4-(4-chloro-3-hydroxyphenyl)but-3-enenitrile
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-hydroxyprop-1-enyl)benzonitrile?
The IUPAC name of 2-chloro-4-(3-hydroxyprop-1-enyl)benzonitrile (CID 169453327) is 2-chloro-4-(3-hydroxyprop-1-enyl)benzonitrile.
What is the SMILES notation for 2-chloro-4-(3-hydroxyprop-1-enyl)benzonitrile?
The canonical SMILES for 2-chloro-4-(3-hydroxyprop-1-enyl)benzonitrile is N#Cc1ccc(C=CCO)cc1Cl.
What is the InChIKey of 2-chloro-4-(3-hydroxyprop-1-enyl)benzonitrile?
The InChIKey is GIEZVIOYZGUSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO/c11-10-6-8(2-1-5-13)3-4-9(10)7-12/h1-4,6,13H,5H2.
What are the key properties of 2-chloro-4-(3-hydroxyprop-1-enyl)benzonitrile?
2-chloro-4-(3-hydroxyprop-1-enyl)benzonitrile has a molecular weight of 193.63 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-hydroxyprop-1-enyl)benzonitrile is sourced from PubChem (CID 169453327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).