[1,3,4-trimethoxy-5-(methoxymethyl)-7-methyl-5-(2-methylpropyl)-2-phenyloctan-2-yl]benzene

C30H46O4 — CID 70016108

IUPAC[1,3,4-trimethoxy-5-(methoxymethyl)-7-methyl-5-(2-methylpropyl)-2-phenyloctan-2-yl]benzene
SMILESCOCC(CC(C)C)(CC(C)C)C(OC)C(OC)C(COC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H46O4/c1-23(2)19-29(21-31-5,20-24(3)4)27(33-7)28(34-8)30(22-32-6,25-15-11-9-12-16-25)26-17-13-10-14-18-26/h9-18,23-24,27-28H,19-22H2,1-8H3
InChIKeyGAMTZBHNYBYNAK-UHFFFAOYSA-N
MW470.69 g/mol
LogP6.37
Rot. Bonds15

About [1,3,4-trimethoxy-5-(methoxymethyl)-7-methyl-5-(2-methylpropyl)-2-phenyloctan-2-yl]benzene

[1,3,4-trimethoxy-5-(methoxymethyl)-7-methyl-5-(2-methylpropyl)-2-phenyloctan-2-yl]benzene (PubChem CID 70016108) has the molecular formula C30H46O4 and a molecular weight of 470.69 g/mol. Its IUPAC name is [1,3,4-trimethoxy-5-(methoxymethyl)-7-methyl-5-(2-methylpropyl)-2-phenyloctan-2-yl]benzene.

Molecular Properties

Compound Name[1,3,4-trimethoxy-5-(methoxymethyl)-7-methyl-5-(2-methylpropyl)-2-phenyloctan-2-yl]benzene
PubChem CID70016108
Molecular FormulaC30H46O4
Molecular Weight470.69 g/mol
Exact Mass470.34
IUPAC Name[1,3,4-trimethoxy-5-(methoxymethyl)-7-methyl-5-(2-methylpropyl)-2-phenyloctan-2-yl]benzene
SMILESCOCC(CC(C)C)(CC(C)C)C(OC)C(OC)C(COC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H46O4/c1-23(2)19-29(21-31-5,20-24(3)4)27(33-7)28(34-8)30(22-32-6,25-15-11-9-12-16-25)26-17-13-10-14-18-26/h9-18,23-24,27-28H,19-22H2,1-8H3
InChIKeyGAMTZBHNYBYNAK-UHFFFAOYSA-N
XLogP6.37
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.69
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[7-ethyl-5-(2-ethylhexyl)-1,3,4-trimethoxy-5-(methoxymethyl)-2-(4-methylphenyl)undecan-2-yl]-4-methylbenzene
CID 57276962
(1,4-dimethoxy-2,3-dimethyl-3-phenylbutan-2-yl)benzene
CID 131848966
methyl (2R)-2-amino-4-methyl-2-phenylpentanoate
CID 142371197
[3,3-bis(methoxymethyl)-2,6-dimethylheptan-2-yl]benzene
CID 139942960
(2,5-dimethyl-3-propan-2-ylhexan-3-yl)benzene
CID 22369928
1-methoxy-3-methyl-2-phenylpentan-2-ol
CID 103465659
2,3,5-trimethylhexan-3-ylbenzene
CID 123149580
3-methoxy-1,1-diphenylbutan-1-ol
CID 13380056
[1-methoxy-2-(methoxymethyl)-4-methylpentan-2-yl] benzoate
CID 19985357
2-(methoxymethyl)-3-methyl-2-phenylbutanoyl chloride
CID 87162719
3-hydroxy-4-methoxy-2-methyl-3-phenylbutanoic acid
CID 103465941
(2-tert-butylperoxy-4-methylpentan-2-yl)benzene
CID 54108901

Frequently Asked Questions

What is the IUPAC name of [1,3,4-trimethoxy-5-(methoxymethyl)-7-methyl-5-(2-methylpropyl)-2-phenyloctan-2-yl]benzene?
The IUPAC name of [1,3,4-trimethoxy-5-(methoxymethyl)-7-methyl-5-(2-methylpropyl)-2-phenyloctan-2-yl]benzene (CID 70016108) is [1,3,4-trimethoxy-5-(methoxymethyl)-7-methyl-5-(2-methylpropyl)-2-phenyloctan-2-yl]benzene.
What is the SMILES notation for [1,3,4-trimethoxy-5-(methoxymethyl)-7-methyl-5-(2-methylpropyl)-2-phenyloctan-2-yl]benzene?
The canonical SMILES for [1,3,4-trimethoxy-5-(methoxymethyl)-7-methyl-5-(2-methylpropyl)-2-phenyloctan-2-yl]benzene is COCC(CC(C)C)(CC(C)C)C(OC)C(OC)C(COC)(c1ccccc1)c1ccccc1.
What is the InChIKey of [1,3,4-trimethoxy-5-(methoxymethyl)-7-methyl-5-(2-methylpropyl)-2-phenyloctan-2-yl]benzene?
The InChIKey is GAMTZBHNYBYNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46O4/c1-23(2)19-29(21-31-5,20-24(3)4)27(33-7)28(34-8)30(22-32-6,25-15-11-9-12-16-25)26-17-13-10-14-18-26/h9-18,23-24,27-28H,19-22H2,1-8H3.
What are the key properties of [1,3,4-trimethoxy-5-(methoxymethyl)-7-methyl-5-(2-methylpropyl)-2-phenyloctan-2-yl]benzene?
[1,3,4-trimethoxy-5-(methoxymethyl)-7-methyl-5-(2-methylpropyl)-2-phenyloctan-2-yl]benzene has a molecular weight of 470.69 g/mol, XLogP of 6.37, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3,4-trimethoxy-5-(methoxymethyl)-7-methyl-5-(2-methylpropyl)-2-phenyloctan-2-yl]benzene is sourced from PubChem (CID 70016108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).