3-(3,5-dichloro-2-hydroxyphenyl)prop-2-enal

C9H6Cl2O2 — CID 75293985

IUPAC3-(3,5-dichloro-2-hydroxyphenyl)prop-2-enal
SMILESO=CC=Cc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C9H6Cl2O2/c10-7-4-6(2-1-3-12)9(13)8(11)5-7/h1-5,13H
InChIKeySNOAZMIQYJHFJW-UHFFFAOYSA-N
MW217.05 g/mol
LogP2.91
Rot. Bonds2

About 3-(3,5-dichloro-2-hydroxyphenyl)prop-2-enal

3-(3,5-dichloro-2-hydroxyphenyl)prop-2-enal (PubChem CID 75293985) has the molecular formula C9H6Cl2O2 and a molecular weight of 217.05 g/mol. Its IUPAC name is 3-(3,5-dichloro-2-hydroxyphenyl)prop-2-enal.

Molecular Properties

Compound Name3-(3,5-dichloro-2-hydroxyphenyl)prop-2-enal
PubChem CID75293985
Molecular FormulaC9H6Cl2O2
Molecular Weight217.05 g/mol
Exact Mass215.97
IUPAC Name3-(3,5-dichloro-2-hydroxyphenyl)prop-2-enal
SMILESO=CC=Cc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C9H6Cl2O2/c10-7-4-6(2-1-3-12)9(13)8(11)5-7/h1-5,13H
InChIKeySNOAZMIQYJHFJW-UHFFFAOYSA-N
XLogP2.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.05
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3,5-dichloro-2-hydroxybenzaldehyde;palladium(2+)
CID 175867579
(E)-3-(5-benzyl-3-chloro-2-hydroxyphenyl)prop-2-enal
CID 87405223
3-(2,4-dichlorophenyl)prop-2-enal
CID 4193011
3-(3-chloro-4-hydroxy-5-methylphenyl)prop-2-enal
CID 169458992
(E)-3-(2-chloro-4-hydroxyphenyl)prop-2-enal
CID 131234249
2,4-dichloro-6-[(E)-hydrazinylidenemethyl]phenol
CID 135445572
2,4-dichloro-6-[[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
CID 3279697
2,4-dichloro-6-[2-(1H-imidazol-2-yl)ethenyl]phenol
CID 173433940
3-(5-chloro-2-oxo-1H-pyridin-3-yl)prop-2-enal
CID 169458878
5-chloro-2-hydroxy-3-(4-oxobut-1-enyl)benzaldehyde
CID 170482087
3,5,7-trichloro-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 101110060
(5E)-5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 11391642

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichloro-2-hydroxyphenyl)prop-2-enal?
The IUPAC name of 3-(3,5-dichloro-2-hydroxyphenyl)prop-2-enal (CID 75293985) is 3-(3,5-dichloro-2-hydroxyphenyl)prop-2-enal.
What is the SMILES notation for 3-(3,5-dichloro-2-hydroxyphenyl)prop-2-enal?
The canonical SMILES for 3-(3,5-dichloro-2-hydroxyphenyl)prop-2-enal is O=CC=Cc1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 3-(3,5-dichloro-2-hydroxyphenyl)prop-2-enal?
The InChIKey is SNOAZMIQYJHFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2O2/c10-7-4-6(2-1-3-12)9(13)8(11)5-7/h1-5,13H.
What are the key properties of 3-(3,5-dichloro-2-hydroxyphenyl)prop-2-enal?
3-(3,5-dichloro-2-hydroxyphenyl)prop-2-enal has a molecular weight of 217.05 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichloro-2-hydroxyphenyl)prop-2-enal is sourced from PubChem (CID 75293985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).