[2-[2-methyl-4-(2-methyl-4-phenylmethoxybutan-2-yl)oxybutan-2-yl]oxyethoxy-diphenylmethyl]benzene

C38H46O4 — CID 143148556

IUPAC[2-[2-methyl-4-(2-methyl-4-phenylmethoxybutan-2-yl)oxybutan-2-yl]oxyethoxy-diphenylmethyl]benzene
SMILESCC(C)(CCOCc1ccccc1)OCCC(C)(C)OCCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H46O4/c1-36(2,25-27-39-31-32-17-9-5-10-18-32)40-28-26-37(3,4)41-29-30-42-38(33-19-11-6-12-20-33,34-21-13-7-14-22-34)35-23-15-8-16-24-35/h5-24H,25-31H2,1-4H3
InChIKeyPOEZRCQZEBPGOL-UHFFFAOYSA-N
MW566.78 g/mol
LogP8.58
Rot. Bonds17

About [2-[2-methyl-4-(2-methyl-4-phenylmethoxybutan-2-yl)oxybutan-2-yl]oxyethoxy-diphenylmethyl]benzene

[2-[2-methyl-4-(2-methyl-4-phenylmethoxybutan-2-yl)oxybutan-2-yl]oxyethoxy-diphenylmethyl]benzene (PubChem CID 143148556) has the molecular formula C38H46O4 and a molecular weight of 566.78 g/mol. Its IUPAC name is [2-[2-methyl-4-(2-methyl-4-phenylmethoxybutan-2-yl)oxybutan-2-yl]oxyethoxy-diphenylmethyl]benzene.

Molecular Properties

Compound Name[2-[2-methyl-4-(2-methyl-4-phenylmethoxybutan-2-yl)oxybutan-2-yl]oxyethoxy-diphenylmethyl]benzene
PubChem CID143148556
Molecular FormulaC38H46O4
Molecular Weight566.78 g/mol
Exact Mass566.34
IUPAC Name[2-[2-methyl-4-(2-methyl-4-phenylmethoxybutan-2-yl)oxybutan-2-yl]oxyethoxy-diphenylmethyl]benzene
SMILESCC(C)(CCOCc1ccccc1)OCCC(C)(C)OCCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H46O4/c1-36(2,25-27-39-31-32-17-9-5-10-18-32)40-28-26-37(3,4)41-29-30-42-38(33-19-11-6-12-20-33,34-21-13-7-14-22-34)35-23-15-8-16-24-35/h5-24H,25-31H2,1-4H3
InChIKeyPOEZRCQZEBPGOL-UHFFFAOYSA-N
XLogP8.58
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.78
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

[diphenyl(2-phenylmethoxyethoxy)methyl]benzene
CID 99938038
(3-methyl-3-phenoxybutoxy)methylbenzene
CID 59317010
2-[4-(4-diethoxyphosphoryl-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyethoxymethylbenzene
CID 138624959
1-methoxy-4-[(4-methoxyphenyl)-phenyl-[3-[3-(4-phenylmethoxybutoxy)propoxy]propoxy]methyl]benzene
CID 175834590
1-methoxy-4-(10-trityloxydecoxymethyl)benzene
CID 11284058
2-methyl-4-phenylmethoxybutane-1,2-diamine
CID 90114043
2-(trifluoromethoxy)ethoxymethylbenzene
CID 154682514
N,2-dimethyl-N-(2-phenylmethoxyethyl)propan-2-amine
CID 23381577
(2S)-1-phenylmethoxy-3-trityloxypropan-2-ol
CID 11582634
(3-chloro-5,5,5-trifluoro-3-methylpentoxy)methylbenzene
CID 162621053
N,2,2-trimethyl-4-phenylmethoxybutan-1-amine;hydrochloride
CID 122240236
2-methyl-6-phenylmethoxyhexan-2-ol
CID 130681536

Frequently Asked Questions

What is the IUPAC name of [2-[2-methyl-4-(2-methyl-4-phenylmethoxybutan-2-yl)oxybutan-2-yl]oxyethoxy-diphenylmethyl]benzene?
The IUPAC name of [2-[2-methyl-4-(2-methyl-4-phenylmethoxybutan-2-yl)oxybutan-2-yl]oxyethoxy-diphenylmethyl]benzene (CID 143148556) is [2-[2-methyl-4-(2-methyl-4-phenylmethoxybutan-2-yl)oxybutan-2-yl]oxyethoxy-diphenylmethyl]benzene.
What is the SMILES notation for [2-[2-methyl-4-(2-methyl-4-phenylmethoxybutan-2-yl)oxybutan-2-yl]oxyethoxy-diphenylmethyl]benzene?
The canonical SMILES for [2-[2-methyl-4-(2-methyl-4-phenylmethoxybutan-2-yl)oxybutan-2-yl]oxyethoxy-diphenylmethyl]benzene is CC(C)(CCOCc1ccccc1)OCCC(C)(C)OCCOC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-[2-methyl-4-(2-methyl-4-phenylmethoxybutan-2-yl)oxybutan-2-yl]oxyethoxy-diphenylmethyl]benzene?
The InChIKey is POEZRCQZEBPGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H46O4/c1-36(2,25-27-39-31-32-17-9-5-10-18-32)40-28-26-37(3,4)41-29-30-42-38(33-19-11-6-12-20-33,34-21-13-7-14-22-34)35-23-15-8-16-24-35/h5-24H,25-31H2,1-4H3.
What are the key properties of [2-[2-methyl-4-(2-methyl-4-phenylmethoxybutan-2-yl)oxybutan-2-yl]oxyethoxy-diphenylmethyl]benzene?
[2-[2-methyl-4-(2-methyl-4-phenylmethoxybutan-2-yl)oxybutan-2-yl]oxyethoxy-diphenylmethyl]benzene has a molecular weight of 566.78 g/mol, XLogP of 8.58, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-methyl-4-(2-methyl-4-phenylmethoxybutan-2-yl)oxybutan-2-yl]oxyethoxy-diphenylmethyl]benzene is sourced from PubChem (CID 143148556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).