4-(chloromethyl)-2,6-bis(prop-2-enyl)phenol

C13H15ClO — CID 70573204

IUPAC4-(chloromethyl)-2,6-bis(prop-2-enyl)phenol
SMILESC=CCc1cc(CCl)cc(CC=C)c1O
InChIInChI=1S/C13H15ClO/c1-3-5-11-7-10(9-14)8-12(6-4-2)13(11)15/h3-4,7-8,15H,1-2,5-6,9H2
InChIKeyXPRQUHZALPNYDN-UHFFFAOYSA-N
MW222.71 g/mol
LogP3.59
Rot. Bonds5

About 4-(chloromethyl)-2,6-bis(prop-2-enyl)phenol

4-(chloromethyl)-2,6-bis(prop-2-enyl)phenol (PubChem CID 70573204) has the molecular formula C13H15ClO and a molecular weight of 222.71 g/mol. Its IUPAC name is 4-(chloromethyl)-2,6-bis(prop-2-enyl)phenol.

Molecular Properties

Compound Name4-(chloromethyl)-2,6-bis(prop-2-enyl)phenol
PubChem CID70573204
Molecular FormulaC13H15ClO
Molecular Weight222.71 g/mol
Exact Mass222.08
IUPAC Name4-(chloromethyl)-2,6-bis(prop-2-enyl)phenol
SMILESC=CCc1cc(CCl)cc(CC=C)c1O
InChIInChI=1S/C13H15ClO/c1-3-5-11-7-10(9-14)8-12(6-4-2)13(11)15/h3-4,7-8,15H,1-2,5-6,9H2
InChIKeyXPRQUHZALPNYDN-UHFFFAOYSA-N
XLogP3.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.71
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-2,6-bis(prop-2-enyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(hydroxymethyl)-2,6-bis(prop-2-enyl)phenol
CID 67498252
4-[[3,5-bis[[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]methyl]phenyl]methyl]-2,6-bis(prop-2-enyl)phenol
CID 67817993
2,6-bis(prop-2-enyl)-4-propylphenol
CID 67656083
3-prop-2-enoxyprop-1-ene;2,4,6-tris(prop-2-enyl)phenol
CID 67855244
3-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]propanal
CID 88801025
2-hydroxy-3,5-bis(prop-2-enyl)benzaldehyde
CID 25137677
4-hydroxy-3,5-bis(prop-2-enyl)benzamide
CID 70425276
methyl 3-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]propanoate
CID 54045829
2-(3-fluoro-4-hydroxy-5-prop-2-enylphenyl)acetate
CID 19857313
2-methyl-4-(2-methylprop-2-enyl)-6-prop-2-enylphenol
CID 101178100
2,6-bis(ethylsulfanylmethyl)-4-prop-2-enylphenol
CID 22065451
[3-[3-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]propanoyloxy]-2,2-bis[3-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]propanoyloxymethyl]propyl] 3-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]propanoate
CID 88637919

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2,6-bis(prop-2-enyl)phenol?
The IUPAC name of 4-(chloromethyl)-2,6-bis(prop-2-enyl)phenol (CID 70573204) is 4-(chloromethyl)-2,6-bis(prop-2-enyl)phenol.
What is the SMILES notation for 4-(chloromethyl)-2,6-bis(prop-2-enyl)phenol?
The canonical SMILES for 4-(chloromethyl)-2,6-bis(prop-2-enyl)phenol is C=CCc1cc(CCl)cc(CC=C)c1O.
What is the InChIKey of 4-(chloromethyl)-2,6-bis(prop-2-enyl)phenol?
The InChIKey is XPRQUHZALPNYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO/c1-3-5-11-7-10(9-14)8-12(6-4-2)13(11)15/h3-4,7-8,15H,1-2,5-6,9H2.
What are the key properties of 4-(chloromethyl)-2,6-bis(prop-2-enyl)phenol?
4-(chloromethyl)-2,6-bis(prop-2-enyl)phenol has a molecular weight of 222.71 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2,6-bis(prop-2-enyl)phenol is sourced from PubChem (CID 70573204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).