3-chloro-5-(3-hydroxyprop-1-enyl)phenol

C9H9ClO2 — CID 169452950

IUPAC3-chloro-5-(3-hydroxyprop-1-enyl)phenol
SMILESOCC=Cc1cc(O)cc(Cl)c1
InChIInChI=1S/C9H9ClO2/c10-8-4-7(2-1-3-11)5-9(12)6-8/h1-2,4-6,11-12H,3H2
InChIKeyLHSANNSAXOJHOV-UHFFFAOYSA-N
MW184.62 g/mol
LogP2.05
Rot. Bonds2

About 3-chloro-5-(3-hydroxyprop-1-enyl)phenol

3-chloro-5-(3-hydroxyprop-1-enyl)phenol (PubChem CID 169452950) has the molecular formula C9H9ClO2 and a molecular weight of 184.62 g/mol. Its IUPAC name is 3-chloro-5-(3-hydroxyprop-1-enyl)phenol.

Molecular Properties

Compound Name3-chloro-5-(3-hydroxyprop-1-enyl)phenol
PubChem CID169452950
Molecular FormulaC9H9ClO2
Molecular Weight184.62 g/mol
Exact Mass184.03
IUPAC Name3-chloro-5-(3-hydroxyprop-1-enyl)phenol
SMILESOCC=Cc1cc(O)cc(Cl)c1
InChIInChI=1S/C9H9ClO2/c10-8-4-7(2-1-3-11)5-9(12)6-8/h1-2,4-6,11-12H,3H2
InChIKeyLHSANNSAXOJHOV-UHFFFAOYSA-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-chloro-5-(3-chloroprop-1-enyl)phenol
CID 169476931
S-[4-(3-chloro-5-hydroxyphenyl)but-3-enyl] ethanethioate
CID 170479685
ethyl 4-(3-chloro-5-hydroxyphenyl)but-3-enoate
CID 170795714
2-chloro-4-[(E)-3-hydroxyprop-1-enyl]phenol
CID 12641151
3-(3,5-dichlorophenyl)prop-2-enyl hydrogen carbonate
CID 175062030
(E)-3-(3,5-difluorophenyl)prop-2-en-1-ol
CID 27282124
1-(3-bromoprop-1-enyl)-3,5-dichlorobenzene
CID 54321123
3-(4-bromo-3-chlorophenyl)prop-2-en-1-ol
CID 169454245
3-(3,5-dimethoxyphenyl)prop-2-en-1-ol
CID 71346140
3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-en-1-ol
CID 79334314
2,5-dichloro-4-(3-hydroxyprop-1-enyl)phenol
CID 169453261
3-(3,4,5-trifluorophenyl)prop-2-en-1-ol
CID 79334205

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(3-hydroxyprop-1-enyl)phenol?
The IUPAC name of 3-chloro-5-(3-hydroxyprop-1-enyl)phenol (CID 169452950) is 3-chloro-5-(3-hydroxyprop-1-enyl)phenol.
What is the SMILES notation for 3-chloro-5-(3-hydroxyprop-1-enyl)phenol?
The canonical SMILES for 3-chloro-5-(3-hydroxyprop-1-enyl)phenol is OCC=Cc1cc(O)cc(Cl)c1.
What is the InChIKey of 3-chloro-5-(3-hydroxyprop-1-enyl)phenol?
The InChIKey is LHSANNSAXOJHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO2/c10-8-4-7(2-1-3-11)5-9(12)6-8/h1-2,4-6,11-12H,3H2.
What are the key properties of 3-chloro-5-(3-hydroxyprop-1-enyl)phenol?
3-chloro-5-(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 3-chloro-5-(3-hydroxyprop-1-enyl)phenol is sourced from PubChem (CID 169452950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).