6-chloro-2-ethenyl-2-methyl-3,4-dihydrochromene

C12H13ClO — CID 121007981

IUPAC6-chloro-2-ethenyl-2-methyl-3,4-dihydrochromene
SMILESC=CC1(C)CCc2cc(Cl)ccc2O1
InChIInChI=1S/C12H13ClO/c1-3-12(2)7-6-9-8-10(13)4-5-11(9)14-12/h3-5,8H,1,6-7H2,2H3
InChIKeyTZCMUEMGOUDUNJ-UHFFFAOYSA-N
MW208.69 g/mol
LogP3.61
Rot. Bonds1

About 6-chloro-2-ethenyl-2-methyl-3,4-dihydrochromene

6-chloro-2-ethenyl-2-methyl-3,4-dihydrochromene (PubChem CID 121007981) has the molecular formula C12H13ClO and a molecular weight of 208.69 g/mol. Its IUPAC name is 6-chloro-2-ethenyl-2-methyl-3,4-dihydrochromene.

Molecular Properties

Compound Name6-chloro-2-ethenyl-2-methyl-3,4-dihydrochromene
PubChem CID121007981
Molecular FormulaC12H13ClO
Molecular Weight208.69 g/mol
Exact Mass208.07
IUPAC Name6-chloro-2-ethenyl-2-methyl-3,4-dihydrochromene
SMILESC=CC1(C)CCc2cc(Cl)ccc2O1
InChIInChI=1S/C12H13ClO/c1-3-12(2)7-6-9-8-10(13)4-5-11(9)14-12/h3-5,8H,1,6-7H2,2H3
InChIKeyTZCMUEMGOUDUNJ-UHFFFAOYSA-N
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-chloro-2-ethenyl-2-methyl-3,4-dihydrochromene 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

(2S)-2-ethenyl-2-methyl-6-propan-2-yl-3,4-dihydrochromene
CID 102455266
6-chloro-2,2-dimethyl-3,4-dihydrochromene
CID 11769444
(2R)-6-fluoro-2-methyl-3,4-dihydrochromene-2-carbaldehyde
CID 88857910
2-(5-chloro-2-methyl-3H-1-benzofuran-2-yl)acetonitrile
CID 121006133
7-chloro-2,2-dimethyl-4,5-dihydro-3H-1,4-benzoxazepine
CID 84621622
2-(6-chlorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)ethanamine
CID 82046802
2-(6-chlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)ethanamine
CID 82047498
6-chloro-2,2-dimethyl-3H-1-benzofuran
CID 13333889
6-chlorospiro[4H-1,3-benzodioxine-2,4'-piperidine]
CID 115062790
7-chloro-6-fluoro-2,2-dimethyl-3,4-dihydrochromene
CID 171787942
4-chloro-9-methyl-10-prop-2-enyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one
CID 106460308
3-(5-chloro-2-methylphenyl)-3-(2,2-dimethyl-3,4-dihydrochromen-6-yl)butan-2-one
CID 174210353

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethenyl-2-methyl-3,4-dihydrochromene?
The IUPAC name of 6-chloro-2-ethenyl-2-methyl-3,4-dihydrochromene (CID 121007981) is 6-chloro-2-ethenyl-2-methyl-3,4-dihydrochromene.
What is the SMILES notation for 6-chloro-2-ethenyl-2-methyl-3,4-dihydrochromene?
The canonical SMILES for 6-chloro-2-ethenyl-2-methyl-3,4-dihydrochromene is C=CC1(C)CCc2cc(Cl)ccc2O1.
What is the InChIKey of 6-chloro-2-ethenyl-2-methyl-3,4-dihydrochromene?
The InChIKey is TZCMUEMGOUDUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO/c1-3-12(2)7-6-9-8-10(13)4-5-11(9)14-12/h3-5,8H,1,6-7H2,2H3.
What are the key properties of 6-chloro-2-ethenyl-2-methyl-3,4-dihydrochromene?
6-chloro-2-ethenyl-2-methyl-3,4-dihydrochromene has a molecular weight of 208.69 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethenyl-2-methyl-3,4-dihydrochromene is sourced from PubChem (CID 121007981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).