2-(3-chloroprop-1-enyl)-3,5-dimethoxyphenol

C11H13ClO3 — CID 169478473

IUPAC2-(3-chloroprop-1-enyl)-3,5-dimethoxyphenol
SMILESCOc1cc(O)c(C=CCCl)c(OC)c1
InChIInChI=1S/C11H13ClO3/c1-14-8-6-10(13)9(4-3-5-12)11(7-8)15-2/h3-4,6-7,13H,5H2,1-2H3
InChIKeyBKSCAAMXOREWOA-UHFFFAOYSA-N
MW228.67 g/mol
LogP2.66
Rot. Bonds4

About 2-(3-chloroprop-1-enyl)-3,5-dimethoxyphenol

2-(3-chloroprop-1-enyl)-3,5-dimethoxyphenol (PubChem CID 169478473) has the molecular formula C11H13ClO3 and a molecular weight of 228.67 g/mol. Its IUPAC name is 2-(3-chloroprop-1-enyl)-3,5-dimethoxyphenol.

Molecular Properties

Compound Name2-(3-chloroprop-1-enyl)-3,5-dimethoxyphenol
PubChem CID169478473
Molecular FormulaC11H13ClO3
Molecular Weight228.67 g/mol
Exact Mass228.06
IUPAC Name2-(3-chloroprop-1-enyl)-3,5-dimethoxyphenol
SMILESCOc1cc(O)c(C=CCCl)c(OC)c1
InChIInChI=1S/C11H13ClO3/c1-14-8-6-10(13)9(4-3-5-12)11(7-8)15-2/h3-4,6-7,13H,5H2,1-2H3
InChIKeyBKSCAAMXOREWOA-UHFFFAOYSA-N
XLogP2.66
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.67
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-chloroprop-1-enyl)-2-methoxyphenol
CID 169477190
2-(1-hydroxypropan-2-yliminomethyl)-3,5-dimethoxyphenol
CID 136859318
(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 70696711
1,3,5-trimethoxy-2-[(E)-prop-1-enyl]benzene
CID 643381
(1E,6E)-1,7-bis(2,4,6-trimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 155805094
2-[3-[2-[3-[(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]propylamino]ethylamino]propyliminomethyl]-3,5-dimethoxyphenol;iron
CID 135456094
2-(chloroamino)-3,5-dimethoxyphenol
CID 21018373
2-[(1-hydroxy-3-methylpentan-2-yl)iminomethyl]-3,5-dimethoxyphenol
CID 136808100
[(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]urea
CID 5092533
diethyl 2-[(E)-3-(2,4,6-trimethoxyphenyl)prop-2-enyl]propanedioate
CID 132570382
[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]urea
CID 135679545
[(Z)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]thiourea
CID 136717021

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroprop-1-enyl)-3,5-dimethoxyphenol?
The IUPAC name of 2-(3-chloroprop-1-enyl)-3,5-dimethoxyphenol (CID 169478473) is 2-(3-chloroprop-1-enyl)-3,5-dimethoxyphenol.
What is the SMILES notation for 2-(3-chloroprop-1-enyl)-3,5-dimethoxyphenol?
The canonical SMILES for 2-(3-chloroprop-1-enyl)-3,5-dimethoxyphenol is COc1cc(O)c(C=CCCl)c(OC)c1.
What is the InChIKey of 2-(3-chloroprop-1-enyl)-3,5-dimethoxyphenol?
The InChIKey is BKSCAAMXOREWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO3/c1-14-8-6-10(13)9(4-3-5-12)11(7-8)15-2/h3-4,6-7,13H,5H2,1-2H3.
What are the key properties of 2-(3-chloroprop-1-enyl)-3,5-dimethoxyphenol?
2-(3-chloroprop-1-enyl)-3,5-dimethoxyphenol has a molecular weight of 228.67 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroprop-1-enyl)-3,5-dimethoxyphenol is sourced from PubChem (CID 169478473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).