6-chloro-4-ethenyl-7-(4-methylphenoxy)-3,4-dihydro-2H-chromene

C18H17ClO2 — CID 126710151

IUPAC6-chloro-4-ethenyl-7-(4-methylphenoxy)-3,4-dihydro-2H-chromene
SMILESC=CC1CCOc2cc(Oc3ccc(C)cc3)c(Cl)cc21
InChIInChI=1S/C18H17ClO2/c1-3-13-8-9-20-17-11-18(16(19)10-15(13)17)21-14-6-4-12(2)5-7-14/h3-7,10-11,13H,1,8-9H2,2H3
InChIKeyJASVGVBWXSSPJW-UHFFFAOYSA-N
MW300.79 g/mol
LogP5.49
Rot. Bonds3

About 6-chloro-4-ethenyl-7-(4-methylphenoxy)-3,4-dihydro-2H-chromene

6-chloro-4-ethenyl-7-(4-methylphenoxy)-3,4-dihydro-2H-chromene (PubChem CID 126710151) has the molecular formula C18H17ClO2 and a molecular weight of 300.79 g/mol. Its IUPAC name is 6-chloro-4-ethenyl-7-(4-methylphenoxy)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-chloro-4-ethenyl-7-(4-methylphenoxy)-3,4-dihydro-2H-chromene
PubChem CID126710151
Molecular FormulaC18H17ClO2
Molecular Weight300.79 g/mol
Exact Mass300.09
IUPAC Name6-chloro-4-ethenyl-7-(4-methylphenoxy)-3,4-dihydro-2H-chromene
SMILESC=CC1CCOc2cc(Oc3ccc(C)cc3)c(Cl)cc21
InChIInChI=1S/C18H17ClO2/c1-3-13-8-9-20-17-11-18(16(19)10-15(13)17)21-14-6-4-12(2)5-7-14/h3-7,10-11,13H,1,8-9H2,2H3
InChIKeyJASVGVBWXSSPJW-UHFFFAOYSA-N
XLogP5.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.79
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-chloro-4-ethenyl-7-(4-methylphenoxy)-3,4-dihydro-2H-chromene 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

[6-chloro-7-(4-methylphenoxy)-3,4-dihydro-2H-chromen-4-yl]methanol
CID 126710140
6-chloro-7-[4-[2-(4-methylphenyl)ethylcarbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid
CID 44599100
6-chloro-7-(2,4-dimethylphenoxy)-3,4-dihydro-2H-chromene-4-carboxylic acid
CID 143919001
[6-chloro-7-[4-[2-(4-methylphenyl)ethylcarbamoyl]phenoxy]-3,4-dihydro-2H-chromen-4-yl] hydrogen carbonate
CID 90340047
sodium;6-chloro-7-(4-methylphenoxy)-3,4-dihydro-2H-chromene-4-carboxylate;N-[3-(4-chlorophenyl)cyclopentyl]formamide
CID 143918994
sodium;6-chloro-7-(4-methylphenoxy)-3,4-dihydro-2H-chromene-4-carboxylate;N-[3-(4-methoxyphenyl)cyclopentyl]formamide
CID 143918978
sodium;N-[2-(4-bromo-2-chlorophenyl)ethyl]formamide;6-chloro-7-(4-methylphenoxy)-3,4-dihydro-2H-chromene-4-carboxylate
CID 143918938
sodium 6-chloro-7-[4-[2-[6-(4-methylphenyl)pyridazin-3-yl]acetyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylate
CID 159453302
[6-chloro-7-[4-[2-(2,4-dimethylphenyl)ethylcarbamoyl]phenoxy]-3,4-dihydro-2H-chromen-4-yl] hydrogen carbonate
CID 90340077
7-methyl-3,4-dihydro-2H-chromene-4-carbaldehyde
CID 83906145
6-chloro-7-[4-[4-(2,6-dichloro-4-methoxyphenyl)butanoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid
CID 58244450
4-[[6-chloro-4-(1-hydroxyethenyl)-3,4-dihydro-2H-chromen-7-yl]oxy]-N-[4-(4-chlorophenyl)-2-pyridinyl]benzamide
CID 89050649

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-ethenyl-7-(4-methylphenoxy)-3,4-dihydro-2H-chromene?
The IUPAC name of 6-chloro-4-ethenyl-7-(4-methylphenoxy)-3,4-dihydro-2H-chromene (CID 126710151) is 6-chloro-4-ethenyl-7-(4-methylphenoxy)-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-chloro-4-ethenyl-7-(4-methylphenoxy)-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-chloro-4-ethenyl-7-(4-methylphenoxy)-3,4-dihydro-2H-chromene is C=CC1CCOc2cc(Oc3ccc(C)cc3)c(Cl)cc21.
What is the InChIKey of 6-chloro-4-ethenyl-7-(4-methylphenoxy)-3,4-dihydro-2H-chromene?
The InChIKey is JASVGVBWXSSPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClO2/c1-3-13-8-9-20-17-11-18(16(19)10-15(13)17)21-14-6-4-12(2)5-7-14/h3-7,10-11,13H,1,8-9H2,2H3.
What are the key properties of 6-chloro-4-ethenyl-7-(4-methylphenoxy)-3,4-dihydro-2H-chromene?
6-chloro-4-ethenyl-7-(4-methylphenoxy)-3,4-dihydro-2H-chromene has a molecular weight of 300.79 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-ethenyl-7-(4-methylphenoxy)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 126710151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).