5-chloro-2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol

C13H17ClO2 — CID 11665895

IUPAC5-chloro-2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol
SMILESCc1c(C)c2c(c(Cl)c1O)CCC(C)(C)O2
InChIInChI=1S/C13H17ClO2/c1-7-8(2)12-9(10(14)11(7)15)5-6-13(3,4)16-12/h15H,5-6H2,1-4H3
InChIKeyMVNSUAVFKVGVAJ-UHFFFAOYSA-N
MW240.73 g/mol
LogP3.77
Rot. Bonds

About 5-chloro-2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol

5-chloro-2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol (PubChem CID 11665895) has the molecular formula C13H17ClO2 and a molecular weight of 240.73 g/mol. Its IUPAC name is 5-chloro-2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol.

Molecular Properties

Compound Name5-chloro-2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol
PubChem CID11665895
Molecular FormulaC13H17ClO2
Molecular Weight240.73 g/mol
Exact Mass240.09
IUPAC Name5-chloro-2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol
SMILESCc1c(C)c2c(c(Cl)c1O)CCC(C)(C)O2
InChIInChI=1S/C13H17ClO2/c1-7-8(2)12-9(10(14)11(7)15)5-6-13(3,4)16-12/h15H,5-6H2,1-4H3
InChIKeyMVNSUAVFKVGVAJ-UHFFFAOYSA-N
XLogP3.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-Chloro-2,2-dimethyl-3,4-dihydrochromen-6-ol
CID 14791437
5,7,8-Trichloro-2,2-dimethyl-3,4-dihydrochromen-6-ol
CID 66554959
5,7-Dichloro-2,2-dimethyl-3,4-dihydrochromen-6-ol
CID 66555128
5-Chloro-2,2-dimethyl-3,4-dihydrochromen-6-ol
CID 70682017
8-Chloro-2,2-dimethyl-3,4-dihydrochromen-6-ol
CID 70682018
2-(3-Chloropropyl)-2,5,7,8-tetramethyl-6-chromanol
CID 129598
5-Chloro-6-hydroxy-7,8-dimethylchroman-2-one
CID 68275983
2-(2-Chloroethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
CID 20216482
5-Chloro-6-methoxy-2,2,7,8-tetramethyl-3,4-dihydrochromene
CID 135040860
2-(4-Chlorobutyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
CID 11266464
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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol?
The IUPAC name of 5-chloro-2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol (CID 11665895) is 5-chloro-2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol.
What is the SMILES notation for 5-chloro-2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol?
The canonical SMILES for 5-chloro-2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol is Cc1c(C)c2c(c(Cl)c1O)CCC(C)(C)O2.
What is the InChIKey of 5-chloro-2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol?
The InChIKey is MVNSUAVFKVGVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO2/c1-7-8(2)12-9(10(14)11(7)15)5-6-13(3,4)16-12/h15H,5-6H2,1-4H3.
What are the key properties of 5-chloro-2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol?
5-chloro-2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol has a molecular weight of 240.73 g/mol, XLogP of 3.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol is sourced from PubChem (CID 11665895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).