anisole;ethane;methane;6-methoxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromene

C29H52O3 — CID 159203763

IUPACanisole;ethane;methane;6-methoxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromene
SMILESC.CC.CC.CC.COc1c(C)c(C)c2c(c1C)CCC(C)(C)O2.COc1ccccc1
InChIInChI=1S/C15H22O2.C7H8O.3C2H6.CH4/c1-9-10(2)14-12(11(3)13(9)16-6)7-8-15(4,5)17-14;1-8-7-5-3-2-4-6-7;3*1-2;/h7-8H2,1-6H3;2-6H,1H3;3*1-2H3;1H4
InChIKeyKPPPVCOCQPDHKZ-UHFFFAOYSA-N
MW448.73 g/mol
LogP9.13
Rot. Bonds2

About anisole;ethane;methane;6-methoxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromene

anisole;ethane;methane;6-methoxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromene (PubChem CID 159203763) has the molecular formula C29H52O3 and a molecular weight of 448.73 g/mol. Its IUPAC name is anisole;ethane;methane;6-methoxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromene.

Molecular Properties

Compound Nameanisole;ethane;methane;6-methoxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromene
PubChem CID159203763
Molecular FormulaC29H52O3
Molecular Weight448.73 g/mol
Exact Mass448.39
IUPAC Nameanisole;ethane;methane;6-methoxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromene
SMILESC.CC.CC.CC.COc1c(C)c(C)c2c(c1C)CCC(C)(C)O2.COc1ccccc1
InChIInChI=1S/C15H22O2.C7H8O.3C2H6.CH4/c1-9-10(2)14-12(11(3)13(9)16-6)7-8-15(4,5)17-14;1-8-7-5-3-2-4-6-7;3*1-2;/h7-8H2,1-6H3;2-6H,1H3;3*1-2H3;1H4
InChIKeyKPPPVCOCQPDHKZ-UHFFFAOYSA-N
XLogP9.13
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.73
LogP ≤ 59.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

anisole;ethane;6-methoxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromene;(Z)-N-methyl-2-phenylethenamine
CID 161119210
(2S)-2-ethynyl-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydrochromene
CID 14478580
6-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)oxy]benzo[c][2,1]benzoxaphosphinine
CID 139991504
ethane;methyl 2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonate
CID 143895265
[5-[(4S,5S)-4,5-diphenyl-4,5-dihydro-1,2-oxazol-3-yl]-2,2,7,8-tetramethyl-3,4-dihydrochromen-6-yl] acetate
CID 12991922
N-(4-methoxyphenyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine
CID 19078609
3-(5-methoxy-2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromen-10-yl)-1,1-diphenylpropan-1-ol
CID 627589
5-bromo-8-methoxy-2,2-dimethyl-3,4-dihydrochromene
CID 171049136
N-[(3,5-dimethoxyphenyl)methyl]-5-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)methyl]furan-2-carboxamide
CID 21047604
methyl 2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromene-2-carboxylate
CID 10570125
anisole;ethane;methane;toluene
CID 162203446
3-(2,2,5,7-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-8-yl)propanal
CID 19877353

Frequently Asked Questions

What is the IUPAC name of anisole;ethane;methane;6-methoxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromene?
The IUPAC name of anisole;ethane;methane;6-methoxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromene (CID 159203763) is anisole;ethane;methane;6-methoxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromene.
What is the SMILES notation for anisole;ethane;methane;6-methoxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromene?
The canonical SMILES for anisole;ethane;methane;6-methoxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromene is C.CC.CC.CC.COc1c(C)c(C)c2c(c1C)CCC(C)(C)O2.COc1ccccc1.
What is the InChIKey of anisole;ethane;methane;6-methoxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromene?
The InChIKey is KPPPVCOCQPDHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2.C7H8O.3C2H6.CH4/c1-9-10(2)14-12(11(3)13(9)16-6)7-8-15(4,5)17-14;1-8-7-5-3-2-4-6-7;3*1-2;/h7-8H2,1-6H3;2-6H,1H3;3*1-2H3;1H4.
What are the key properties of anisole;ethane;methane;6-methoxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromene?
anisole;ethane;methane;6-methoxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromene has a molecular weight of 448.73 g/mol, XLogP of 9.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;ethane;methane;6-methoxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromene is sourced from PubChem (CID 159203763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).