2-(4,8-dimethylundecyl)-2,5-dimethyl-3,4-dihydrobenzo[h]chromen-6-ol

C28H42O2 — CID 171761795

IUPAC2-(4,8-dimethylundecyl)-2,5-dimethyl-3,4-dihydrobenzo[h]chromen-6-ol
SMILESCCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(O)c3ccccc3c2O1
InChIInChI=1S/C28H42O2/c1-6-11-20(2)12-9-13-21(3)14-10-18-28(5)19-17-23-22(4)26(29)24-15-7-8-16-25(24)27(23)30-28/h7-8,15-16,20-21,29H,6,9-14,17-19H2,1-5H3
InChIKeyPRFVQNZTENZPLS-UHFFFAOYSA-N
MW410.64 g/mol
LogP8.35
Rot. Bonds10

About 2-(4,8-dimethylundecyl)-2,5-dimethyl-3,4-dihydrobenzo[h]chromen-6-ol

2-(4,8-dimethylundecyl)-2,5-dimethyl-3,4-dihydrobenzo[h]chromen-6-ol (PubChem CID 171761795) has the molecular formula C28H42O2 and a molecular weight of 410.64 g/mol. Its IUPAC name is 2-(4,8-dimethylundecyl)-2,5-dimethyl-3,4-dihydrobenzo[h]chromen-6-ol.

Molecular Properties

Compound Name2-(4,8-dimethylundecyl)-2,5-dimethyl-3,4-dihydrobenzo[h]chromen-6-ol
PubChem CID171761795
Molecular FormulaC28H42O2
Molecular Weight410.64 g/mol
Exact Mass410.32
IUPAC Name2-(4,8-dimethylundecyl)-2,5-dimethyl-3,4-dihydrobenzo[h]chromen-6-ol
SMILESCCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(O)c3ccccc3c2O1
InChIInChI=1S/C28H42O2/c1-6-11-20(2)12-9-13-21(3)14-10-18-28(5)19-17-23-22(4)26(29)24-15-7-8-16-25(24)27(23)30-28/h7-8,15-16,20-21,29H,6,9-14,17-19H2,1-5H3
InChIKeyPRFVQNZTENZPLS-UHFFFAOYSA-N
XLogP8.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.64
LogP ≤ 58.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4,8-dimethyldodecyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
CID 20758468
methane;2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
CID 158950682
(2S)-2,5,7,8-tetramethyl-2-[(4R,8S)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol;hydrochloride
CID 141451505
calcium;hydride;(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
CID 173034485
2,5,7,8-tetramethyl-2-[(4R,8S,12S)-4,8,12,13-tetramethyltetradecyl]-3,4-dihydrochromen-6-ol
CID 134876410
2,5,7,8-tetramethyl-2-(5,10,14-trimethylpentadecyl)-3,4-dihydrochromen-6-ol
CID 123549807
sulfuric acid;(2R)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
CID 175105897
1,2,3,4-tetrahydroacridin-9-amine;(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
CID 70251682
(2R)-6-hydroxy-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromene-7-carbaldehyde
CID 15385866
2-acetamido-3-(1H-indol-3-yl)propanoic acid;(2R)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
CID 175261864
5-[[ethyl(naphthalen-1-yl)amino]methyl]-2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
CID 10579458
2-ethoxyquinoline;(2R)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
CID 174949863

Frequently Asked Questions

What is the IUPAC name of 2-(4,8-dimethylundecyl)-2,5-dimethyl-3,4-dihydrobenzo[h]chromen-6-ol?
The IUPAC name of 2-(4,8-dimethylundecyl)-2,5-dimethyl-3,4-dihydrobenzo[h]chromen-6-ol (CID 171761795) is 2-(4,8-dimethylundecyl)-2,5-dimethyl-3,4-dihydrobenzo[h]chromen-6-ol.
What is the SMILES notation for 2-(4,8-dimethylundecyl)-2,5-dimethyl-3,4-dihydrobenzo[h]chromen-6-ol?
The canonical SMILES for 2-(4,8-dimethylundecyl)-2,5-dimethyl-3,4-dihydrobenzo[h]chromen-6-ol is CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(O)c3ccccc3c2O1.
What is the InChIKey of 2-(4,8-dimethylundecyl)-2,5-dimethyl-3,4-dihydrobenzo[h]chromen-6-ol?
The InChIKey is PRFVQNZTENZPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42O2/c1-6-11-20(2)12-9-13-21(3)14-10-18-28(5)19-17-23-22(4)26(29)24-15-7-8-16-25(24)27(23)30-28/h7-8,15-16,20-21,29H,6,9-14,17-19H2,1-5H3.
What are the key properties of 2-(4,8-dimethylundecyl)-2,5-dimethyl-3,4-dihydrobenzo[h]chromen-6-ol?
2-(4,8-dimethylundecyl)-2,5-dimethyl-3,4-dihydrobenzo[h]chromen-6-ol has a molecular weight of 410.64 g/mol, XLogP of 8.35, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,8-dimethylundecyl)-2,5-dimethyl-3,4-dihydrobenzo[h]chromen-6-ol is sourced from PubChem (CID 171761795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).