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

C14H19ClO2 — CID 135040860

IUPAC5-chloro-6-methoxy-2,2,7,8-tetramethyl-3,4-dihydrochromene
SMILESCOc1c(C)c(C)c2c(c1Cl)CCC(C)(C)O2
InChIInChI=1S/C14H19ClO2/c1-8-9(2)13(16-5)11(15)10-6-7-14(3,4)17-12(8)10/h6-7H2,1-5H3
InChIKeyODAQVUPSYWKQOD-UHFFFAOYSA-N
MW254.76 g/mol
LogP4.07
Rot. Bonds1

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

5-chloro-6-methoxy-2,2,7,8-tetramethyl-3,4-dihydrochromene (PubChem CID 135040860) has the molecular formula C14H19ClO2 and a molecular weight of 254.76 g/mol. Its IUPAC name is 5-chloro-6-methoxy-2,2,7,8-tetramethyl-3,4-dihydrochromene.

Molecular Properties

Compound Name5-chloro-6-methoxy-2,2,7,8-tetramethyl-3,4-dihydrochromene
PubChem CID135040860
Molecular FormulaC14H19ClO2
Molecular Weight254.76 g/mol
Exact Mass254.11
IUPAC Name5-chloro-6-methoxy-2,2,7,8-tetramethyl-3,4-dihydrochromene
SMILESCOc1c(C)c(C)c2c(c1Cl)CCC(C)(C)O2
InChIInChI=1S/C14H19ClO2/c1-8-9(2)13(16-5)11(15)10-6-7-14(3,4)17-12(8)10/h6-7H2,1-5H3
InChIKeyODAQVUPSYWKQOD-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chlorochroman
CID 133341
1-Chloro-2-[(2-chloro-3,6-dimethoxy-4,5-dimethylphenyl)methyl]-3,6-dimethoxy-4,5-dimethylbenzene
CID 101730187
1-Chloro-4-[(4-chloro-2,5-dimethoxy-3,6-dimethylphenyl)methyl]-2,5-dimethoxy-3,6-dimethylbenzene
CID 101730190
1-Chloro-3-[(3-chloro-2,5-dimethoxy-4,6-dimethylphenyl)methyl]-2,5-dimethoxy-4,6-dimethylbenzene
CID 101730191
5-Chloro-2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol
CID 11665895
7-Chloro-5,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol
CID 11687475
5-Chloro-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol
CID 11708628
2-Chloro-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydrochromene
CID 14210612
2-[(2-Chloro-3,4,5,6-tetramethylphenoxy)methyl]oxirane
CID 21350003
2-Chloro-1,4-dimethoxy-3-methylnaphthalene
CID 53809017
3-Chloro-6-ethenyl-1,4-dimethoxy-2-methylnaphthalene
CID 54529050
8-Chloro-5,7-dimethyl-3,4-dihydrospiro[chromene-2,1'-cyclobutan]-6-ol
CID 57803503

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methoxy-2,2,7,8-tetramethyl-3,4-dihydrochromene?
The IUPAC name of 5-chloro-6-methoxy-2,2,7,8-tetramethyl-3,4-dihydrochromene (CID 135040860) is 5-chloro-6-methoxy-2,2,7,8-tetramethyl-3,4-dihydrochromene.
What is the SMILES notation for 5-chloro-6-methoxy-2,2,7,8-tetramethyl-3,4-dihydrochromene?
The canonical SMILES for 5-chloro-6-methoxy-2,2,7,8-tetramethyl-3,4-dihydrochromene is COc1c(C)c(C)c2c(c1Cl)CCC(C)(C)O2.
What is the InChIKey of 5-chloro-6-methoxy-2,2,7,8-tetramethyl-3,4-dihydrochromene?
The InChIKey is ODAQVUPSYWKQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO2/c1-8-9(2)13(16-5)11(15)10-6-7-14(3,4)17-12(8)10/h6-7H2,1-5H3.
What are the key properties of 5-chloro-6-methoxy-2,2,7,8-tetramethyl-3,4-dihydrochromene?
5-chloro-6-methoxy-2,2,7,8-tetramethyl-3,4-dihydrochromene has a molecular weight of 254.76 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methoxy-2,2,7,8-tetramethyl-3,4-dihydrochromene is sourced from PubChem (CID 135040860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).