2,5-dichloro-4-(3-hydroxyprop-1-enyl)phenol

C9H8Cl2O2 — CID 169453261

IUPAC2,5-dichloro-4-(3-hydroxyprop-1-enyl)phenol
SMILESOCC=Cc1cc(Cl)c(O)cc1Cl
InChIInChI=1S/C9H8Cl2O2/c10-7-5-9(13)8(11)4-6(7)2-1-3-12/h1-2,4-5,12-13H,3H2
InChIKeyFUIHMLHQDHAIDQ-UHFFFAOYSA-N
MW219.07 g/mol
LogP2.70
Rot. Bonds2

About 2,5-dichloro-4-(3-hydroxyprop-1-enyl)phenol

2,5-dichloro-4-(3-hydroxyprop-1-enyl)phenol (PubChem CID 169453261) has the molecular formula C9H8Cl2O2 and a molecular weight of 219.07 g/mol. Its IUPAC name is 2,5-dichloro-4-(3-hydroxyprop-1-enyl)phenol.

Molecular Properties

Compound Name2,5-dichloro-4-(3-hydroxyprop-1-enyl)phenol
PubChem CID169453261
Molecular FormulaC9H8Cl2O2
Molecular Weight219.07 g/mol
Exact Mass217.99
IUPAC Name2,5-dichloro-4-(3-hydroxyprop-1-enyl)phenol
SMILESOCC=Cc1cc(Cl)c(O)cc1Cl
InChIInChI=1S/C9H8Cl2O2/c10-7-5-9(13)8(11)4-6(7)2-1-3-12/h1-2,4-5,12-13H,3H2
InChIKeyFUIHMLHQDHAIDQ-UHFFFAOYSA-N
XLogP2.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.07
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-[(E)-3-hydroxyprop-1-enyl]phenol
CID 12641151
methyl 4-(2,5-dichloro-4-hydroxyphenyl)but-3-enoate
CID 170500825
2,5-dichloro-4-hydroxybenzaldehyde
CID 528381
3-(5-amino-2-chlorophenyl)prop-2-en-1-ol
CID 169453032
3-(6-chloro-1H-indol-5-yl)prop-2-en-1-ol
CID 169453478
4-[(E)-3-hydroxyprop-1-enyl]benzene-1,3-diol
CID 18539716
(E)-3-(2,3,4-trichlorophenyl)prop-2-en-1-ol
CID 173058709
3-chloro-5-(3-hydroxyprop-1-enyl)phenol
CID 169452950
4-bromo-2-[(E)-3-hydroxyprop-1-enyl]phenol
CID 12641145
3-(3-amino-4-chlorophenyl)prop-2-en-1-ol
CID 169453053
2-chloro-5-(hydroxymethyl)benzene-1,4-diol
CID 55253170
3-(4-bromo-3-chlorophenyl)prop-2-en-1-ol
CID 169454245

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-(3-hydroxyprop-1-enyl)phenol?
The IUPAC name of 2,5-dichloro-4-(3-hydroxyprop-1-enyl)phenol (CID 169453261) is 2,5-dichloro-4-(3-hydroxyprop-1-enyl)phenol.
What is the SMILES notation for 2,5-dichloro-4-(3-hydroxyprop-1-enyl)phenol?
The canonical SMILES for 2,5-dichloro-4-(3-hydroxyprop-1-enyl)phenol is OCC=Cc1cc(Cl)c(O)cc1Cl.
What is the InChIKey of 2,5-dichloro-4-(3-hydroxyprop-1-enyl)phenol?
The InChIKey is FUIHMLHQDHAIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O2/c10-7-5-9(13)8(11)4-6(7)2-1-3-12/h1-2,4-5,12-13H,3H2.
What are the key properties of 2,5-dichloro-4-(3-hydroxyprop-1-enyl)phenol?
2,5-dichloro-4-(3-hydroxyprop-1-enyl)phenol has a molecular weight of 219.07 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-(3-hydroxyprop-1-enyl)phenol is sourced from PubChem (CID 169453261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).