2-chloro-4-[(E)-3-hydroxyprop-1-enyl]phenol

C9H9ClO2 — CID 12641151

IUPAC2-chloro-4-[(E)-3-hydroxyprop-1-enyl]phenol
SMILESOC/C=C/c1ccc(O)c(Cl)c1
InChIInChI=1S/C9H9ClO2/c10-8-6-7(2-1-5-11)3-4-9(8)12/h1-4,6,11-12H,5H2/b2-1+
InChIKeyOSXDPXNJKBPXKH-OWOJBTEDSA-N
MW184.62 g/mol
LogP2.05
Rot. Bonds2

About 2-chloro-4-[(E)-3-hydroxyprop-1-enyl]phenol

2-chloro-4-[(E)-3-hydroxyprop-1-enyl]phenol (PubChem CID 12641151) has the molecular formula C9H9ClO2 and a molecular weight of 184.62 g/mol. Its IUPAC name is 2-chloro-4-[(E)-3-hydroxyprop-1-enyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[(E)-3-hydroxyprop-1-enyl]phenol
PubChem CID12641151
Molecular FormulaC9H9ClO2
Molecular Weight184.62 g/mol
Exact Mass184.03
IUPAC Name2-chloro-4-[(E)-3-hydroxyprop-1-enyl]phenol
SMILESOC/C=C/c1ccc(O)c(Cl)c1
InChIInChI=1S/C9H9ClO2/c10-8-6-7(2-1-5-11)3-4-9(8)12/h1-4,6,11-12H,5H2/b2-1+
InChIKeyOSXDPXNJKBPXKH-OWOJBTEDSA-N
XLogP2.05
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.62
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromo-3-chlorophenyl)prop-2-en-1-ol
CID 169454245
3-(3-amino-4-chlorophenyl)prop-2-en-1-ol
CID 169453053
2-chloro-4-(3-hydroxyprop-1-enyl)benzonitrile
CID 169453327
2,5-dichloro-4-(3-hydroxyprop-1-enyl)phenol
CID 169453261
2-bromo-5-[(E)-3-hydroxyprop-1-enyl]phenol
CID 12641157
2-amino-5-(3-hydroxyprop-1-enyl)phenol
CID 169453102
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
4-[(E)-3-hydroxyprop-1-enyl]-2-prop-2-enylphenol
CID 12641154
3-chloro-5-(3-hydroxyprop-1-enyl)phenol
CID 169452950
(E)-3-(3-chloro-4-hydroxyphenyl)prop-2-enamide
CID 131243997
2-chloro-4-(2,2-dichloroethenyl)phenol
CID 14074061

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(E)-3-hydroxyprop-1-enyl]phenol?
The IUPAC name of 2-chloro-4-[(E)-3-hydroxyprop-1-enyl]phenol (CID 12641151) is 2-chloro-4-[(E)-3-hydroxyprop-1-enyl]phenol.
What is the SMILES notation for 2-chloro-4-[(E)-3-hydroxyprop-1-enyl]phenol?
The canonical SMILES for 2-chloro-4-[(E)-3-hydroxyprop-1-enyl]phenol is OC/C=C/c1ccc(O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[(E)-3-hydroxyprop-1-enyl]phenol?
The InChIKey is OSXDPXNJKBPXKH-OWOJBTEDSA-N. The full InChI is InChI=1S/C9H9ClO2/c10-8-6-7(2-1-5-11)3-4-9(8)12/h1-4,6,11-12H,5H2/b2-1+.
What are the key properties of 2-chloro-4-[(E)-3-hydroxyprop-1-enyl]phenol?
2-chloro-4-[(E)-3-hydroxyprop-1-enyl]phenol has a molecular weight of 184.62 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(E)-3-hydroxyprop-1-enyl]phenol is sourced from PubChem (CID 12641151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).