4-chlorophenol;prop-1-ene

C9H11ClO — CID 158486029

IUPAC4-chlorophenol;prop-1-ene
SMILESC=CC.Oc1ccc(Cl)cc1
InChIInChI=1S/C6H5ClO.C3H6/c7-5-1-3-6(8)4-2-5;1-3-2/h1-4,8H;3H,1H2,2H3
InChIKeyHICMPGFQHRHSAL-UHFFFAOYSA-N
MW170.64 g/mol
LogP3.24
Rot. Bonds

About 4-chlorophenol;prop-1-ene

4-chlorophenol;prop-1-ene (PubChem CID 158486029) has the molecular formula C9H11ClO and a molecular weight of 170.64 g/mol. Its IUPAC name is 4-chlorophenol;prop-1-ene.

Molecular Properties

Compound Name4-chlorophenol;prop-1-ene
PubChem CID158486029
Molecular FormulaC9H11ClO
Molecular Weight170.64 g/mol
Exact Mass170.05
IUPAC Name4-chlorophenol;prop-1-ene
SMILESC=CC.Oc1ccc(Cl)cc1
InChIInChI=1S/C6H5ClO.C3H6/c7-5-1-3-6(8)4-2-5;1-3-2/h1-4,8H;3H,1H2,2H3
InChIKeyHICMPGFQHRHSAL-UHFFFAOYSA-N
XLogP3.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chlorophenol
CID 4684
bis(4-chlorophenol);chromium
CID 152534645
4-chlorophenol;methoxymethane
CID 23617160
magnesium;4-chlorophenol;hydride
CID 174509814
CID 159053897
CID 159053897
4-[(E)-2-(4-chlorophenyl)ethenyl]phenol
CID 5376643
benzene;phenol;prop-1-ene
CID 174830652
4-chlorophenol;3,5-dimethylphenol
CID 160790221
1-chloro-4-[(3Z)-penta-1,3-dien-3-yl]benzene
CID 58174508
4-chlorophenol;piperazine
CID 159117367
4-chloro-3-methylphenol;4-chlorophenol
CID 70419775
(4-chlorophenyl)methanol;4-methylphenol
CID 158049041

Frequently Asked Questions

What is the IUPAC name of 4-chlorophenol;prop-1-ene?
The IUPAC name of 4-chlorophenol;prop-1-ene (CID 158486029) is 4-chlorophenol;prop-1-ene.
What is the SMILES notation for 4-chlorophenol;prop-1-ene?
The canonical SMILES for 4-chlorophenol;prop-1-ene is C=CC.Oc1ccc(Cl)cc1.
What is the InChIKey of 4-chlorophenol;prop-1-ene?
The InChIKey is HICMPGFQHRHSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClO.C3H6/c7-5-1-3-6(8)4-2-5;1-3-2/h1-4,8H;3H,1H2,2H3.
What are the key properties of 4-chlorophenol;prop-1-ene?
4-chlorophenol;prop-1-ene has a molecular weight of 170.64 g/mol, XLogP of 3.24, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorophenol;prop-1-ene is sourced from PubChem (CID 158486029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).