2-chloro-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydrochromene

C14H19ClO2 — CID 14210612

IUPAC2-chloro-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydrochromene
SMILESCOc1c(C)c(C)c2c(c1C)CCC(C)(Cl)O2
InChIInChI=1S/C14H19ClO2/c1-8-9(2)13-11(10(3)12(8)16-5)6-7-14(4,15)17-13/h6-7H2,1-5H3
InChIKeyBQDMHSPAJHWXLI-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.90
Rot. Bonds1

About 2-chloro-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydrochromene

2-chloro-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydrochromene (PubChem CID 14210612) has the molecular formula C14H19ClO2 and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-chloro-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydrochromene.

Molecular Properties

Compound Name2-chloro-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydrochromene
PubChem CID14210612
Molecular FormulaC14H19ClO2
Molecular Weight254.76 g/mol
Exact Mass254.11
IUPAC Name2-chloro-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydrochromene
SMILESCOc1c(C)c(C)c2c(c1C)CCC(C)(Cl)O2
InChIInChI=1S/C14H19ClO2/c1-8-9(2)13-11(10(3)12(8)16-5)6-7-14(4,15)17-13/h6-7H2,1-5H3
InChIKeyBQDMHSPAJHWXLI-UHFFFAOYSA-N
XLogP3.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Vitamin E
CID 14985
Alpha-Tocopherol Acetate
CID 86472
DL-alpha-Tocopherol
CID 2116
2,2,5,7,8-Pentamethyl-6-chromanol
CID 99479
Dl-alpha-tocopherol acetate
CID 2117
Alpha-Tocotrienol
CID 5282347
Covi-Ox
CID 6560141
Vitamin E acetate
CID 58078320
2,5,7,8-Tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-ol acetate
CID 11305985
2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrien-1-yl)-
CID 92161
(-)-alpha-Tocopherol
CID 1742129
zeta1-Tocopherol
CID 6538275

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydrochromene?
The IUPAC name of 2-chloro-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydrochromene (CID 14210612) is 2-chloro-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydrochromene.
What is the SMILES notation for 2-chloro-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydrochromene?
The canonical SMILES for 2-chloro-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydrochromene is COc1c(C)c(C)c2c(c1C)CCC(C)(Cl)O2.
What is the InChIKey of 2-chloro-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydrochromene?
The InChIKey is BQDMHSPAJHWXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO2/c1-8-9(2)13-11(10(3)12(8)16-5)6-7-14(4,15)17-13/h6-7H2,1-5H3.
What are the key properties of 2-chloro-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydrochromene?
2-chloro-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydrochromene has a molecular weight of 254.76 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydrochromene is sourced from PubChem (CID 14210612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).