2,8-dimethyl-2-(4,8,11-trimethyldodecyl)chromen-6-ol

C26H42O2 — CID 11234568

IUPAC2,8-dimethyl-2-(4,8,11-trimethyldodecyl)chromen-6-ol
SMILESCc1cc(O)cc2c1OC(C)(CCCC(C)CCCC(C)CCC(C)C)C=C2
InChIInChI=1S/C26H42O2/c1-19(2)12-13-21(4)10-7-9-20(3)11-8-15-26(6)16-14-23-18-24(27)17-22(5)25(23)28-26/h14,16-21,27H,7-13,15H2,1-6H3
InChIKeyJFDNCZUQTPEGMC-UHFFFAOYSA-N
MW386.62 g/mol
LogP7.91
Rot. Bonds11

About 2,8-dimethyl-2-(4,8,11-trimethyldodecyl)chromen-6-ol

2,8-dimethyl-2-(4,8,11-trimethyldodecyl)chromen-6-ol (PubChem CID 11234568) has the molecular formula C26H42O2 and a molecular weight of 386.62 g/mol. Its IUPAC name is 2,8-dimethyl-2-(4,8,11-trimethyldodecyl)chromen-6-ol.

Molecular Properties

Compound Name2,8-dimethyl-2-(4,8,11-trimethyldodecyl)chromen-6-ol
PubChem CID11234568
Molecular FormulaC26H42O2
Molecular Weight386.62 g/mol
Exact Mass386.32
IUPAC Name2,8-dimethyl-2-(4,8,11-trimethyldodecyl)chromen-6-ol
SMILESCc1cc(O)cc2c1OC(C)(CCCC(C)CCCC(C)CCC(C)C)C=C2
InChIInChI=1S/C26H42O2/c1-19(2)12-13-21(4)10-7-9-20(3)11-8-15-26(6)16-14-23-18-24(27)17-22(5)25(23)28-26/h14,16-21,27H,7-13,15H2,1-6H3
InChIKeyJFDNCZUQTPEGMC-UHFFFAOYSA-N
XLogP7.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.62
LogP ≤ 57.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,8-dimethyl-2-(2,8,12-trimethyltridecyl)chromen-6-ol
CID 102106996
(2R)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)chromen-6-ol
CID 101360006
(2S)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)chromen-6-ol
CID 146544625
(2R)-2,5,7-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chromen-6-ol
CID 146501230
2-[(2R)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)chromen-6-yl]acetic acid
CID 175052993
[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)chromen-6-yl] acetate
CID 11178902
(2Z,6Z)-2-[(3R)-3-chloro-4-methylpent-4-enyl]-9-[(2R)-6-hydroxy-2,8-dimethylchromen-2-yl]-6-methylnona-2,6-dienoic acid
CID 163185030
[2,5-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]benzo[h]chromen-6-yl] acetate
CID 171379932
3-[6-[tert-butyl(dimethyl)silyl]oxy-2,8-dimethylchromen-2-yl]propan-1-ol
CID 11710011
actinium;2,5,7,8-tetramethyl-2-[(E)-4,6,8,12-tetramethyltridec-3-enyl]chromen-6-ol
CID 20767068
2-[8,12-dimethyl-4-(trifluoromethyl)tridecyl]-2,5,8-trimethyl-3,4-dihydrochromen-6-ol
CID 10457449
(2R)-2,7,8-trimethyl-2-[(4S,8S)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
CID 53393643

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-2-(4,8,11-trimethyldodecyl)chromen-6-ol?
The IUPAC name of 2,8-dimethyl-2-(4,8,11-trimethyldodecyl)chromen-6-ol (CID 11234568) is 2,8-dimethyl-2-(4,8,11-trimethyldodecyl)chromen-6-ol.
What is the SMILES notation for 2,8-dimethyl-2-(4,8,11-trimethyldodecyl)chromen-6-ol?
The canonical SMILES for 2,8-dimethyl-2-(4,8,11-trimethyldodecyl)chromen-6-ol is Cc1cc(O)cc2c1OC(C)(CCCC(C)CCCC(C)CCC(C)C)C=C2.
What is the InChIKey of 2,8-dimethyl-2-(4,8,11-trimethyldodecyl)chromen-6-ol?
The InChIKey is JFDNCZUQTPEGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42O2/c1-19(2)12-13-21(4)10-7-9-20(3)11-8-15-26(6)16-14-23-18-24(27)17-22(5)25(23)28-26/h14,16-21,27H,7-13,15H2,1-6H3.
What are the key properties of 2,8-dimethyl-2-(4,8,11-trimethyldodecyl)chromen-6-ol?
2,8-dimethyl-2-(4,8,11-trimethyldodecyl)chromen-6-ol has a molecular weight of 386.62 g/mol, XLogP of 7.91, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-2-(4,8,11-trimethyldodecyl)chromen-6-ol is sourced from PubChem (CID 11234568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).