1-(1-methoxyethyl)-4-[[3-(2-methoxy-2-phenylethoxy)-2-methylpropoxy]methyl]benzene

C23H32O4 — CID 59464469

IUPAC1-(1-methoxyethyl)-4-[[3-(2-methoxy-2-phenylethoxy)-2-methylpropoxy]methyl]benzene
SMILESCOC(C)c1ccc(COCC(C)COCC(OC)c2ccccc2)cc1
InChIInChI=1S/C23H32O4/c1-18(15-27-17-23(25-4)22-8-6-5-7-9-22)14-26-16-20-10-12-21(13-11-20)19(2)24-3/h5-13,18-19,23H,14-17H2,1-4H3
InChIKeyMSCGOYVRXCCWQK-UHFFFAOYSA-N
MW372.51 g/mol
LogP4.95
Rot. Bonds12

About 1-(1-methoxyethyl)-4-[[3-(2-methoxy-2-phenylethoxy)-2-methylpropoxy]methyl]benzene

1-(1-methoxyethyl)-4-[[3-(2-methoxy-2-phenylethoxy)-2-methylpropoxy]methyl]benzene (PubChem CID 59464469) has the molecular formula C23H32O4 and a molecular weight of 372.51 g/mol. Its IUPAC name is 1-(1-methoxyethyl)-4-[[3-(2-methoxy-2-phenylethoxy)-2-methylpropoxy]methyl]benzene.

Molecular Properties

Compound Name1-(1-methoxyethyl)-4-[[3-(2-methoxy-2-phenylethoxy)-2-methylpropoxy]methyl]benzene
PubChem CID59464469
Molecular FormulaC23H32O4
Molecular Weight372.51 g/mol
Exact Mass372.23
IUPAC Name1-(1-methoxyethyl)-4-[[3-(2-methoxy-2-phenylethoxy)-2-methylpropoxy]methyl]benzene
SMILESCOC(C)c1ccc(COCC(C)COCC(OC)c2ccccc2)cc1
InChIInChI=1S/C23H32O4/c1-18(15-27-17-23(25-4)22-8-6-5-7-9-22)14-26-16-20-10-12-21(13-11-20)19(2)24-3/h5-13,18-19,23H,14-17H2,1-4H3
InChIKeyMSCGOYVRXCCWQK-UHFFFAOYSA-N
XLogP4.95
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[[4-(1-methoxyethyl)phenyl]methoxy]-2-methylpropyl] 2-phenylpropanoate
CID 59464519
[2-hydroxy-3-[3-[[4-(1-methoxyethyl)phenyl]methoxy]-2-methylpropoxy]propyl] 2-methylpropanoate
CID 59464443
1-(2-methoxy-2-phenylethoxy)propan-2-ol
CID 59464511
benzene;[(1R)-1,2-dimethoxyethyl]benzene
CID 178156280
[(1S)-2-ethoxy-1-methoxyethyl]benzene
CID 155459528
1-[1-methoxy-2-[2-methoxy-2-(4-methylphenyl)ethoxy]ethyl]-4-methylbenzene
CID 57166946
[(2R)-3-iodo-2-methylpropoxy]methylbenzene
CID 10334380
[(2R)-2-methylheptoxy]methylbenzene
CID 126666980
[4-(1-methoxyethyl)phenyl]-diphenylbismuthane
CID 167627453
[(2R)-4-bromo-2-methylbutoxy]methylbenzene
CID 174482888
1,2-dimethoxyethylbenzene;(1,2-dimethoxy-2-phenylethyl)benzene;1,2-dimethoxypropane
CID 159991566
1-butyl-4-(1-methoxyethyl)benzene
CID 143934734

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxyethyl)-4-[[3-(2-methoxy-2-phenylethoxy)-2-methylpropoxy]methyl]benzene?
The IUPAC name of 1-(1-methoxyethyl)-4-[[3-(2-methoxy-2-phenylethoxy)-2-methylpropoxy]methyl]benzene (CID 59464469) is 1-(1-methoxyethyl)-4-[[3-(2-methoxy-2-phenylethoxy)-2-methylpropoxy]methyl]benzene.
What is the SMILES notation for 1-(1-methoxyethyl)-4-[[3-(2-methoxy-2-phenylethoxy)-2-methylpropoxy]methyl]benzene?
The canonical SMILES for 1-(1-methoxyethyl)-4-[[3-(2-methoxy-2-phenylethoxy)-2-methylpropoxy]methyl]benzene is COC(C)c1ccc(COCC(C)COCC(OC)c2ccccc2)cc1.
What is the InChIKey of 1-(1-methoxyethyl)-4-[[3-(2-methoxy-2-phenylethoxy)-2-methylpropoxy]methyl]benzene?
The InChIKey is MSCGOYVRXCCWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O4/c1-18(15-27-17-23(25-4)22-8-6-5-7-9-22)14-26-16-20-10-12-21(13-11-20)19(2)24-3/h5-13,18-19,23H,14-17H2,1-4H3.
What are the key properties of 1-(1-methoxyethyl)-4-[[3-(2-methoxy-2-phenylethoxy)-2-methylpropoxy]methyl]benzene?
1-(1-methoxyethyl)-4-[[3-(2-methoxy-2-phenylethoxy)-2-methylpropoxy]methyl]benzene has a molecular weight of 372.51 g/mol, XLogP of 4.95, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxyethyl)-4-[[3-(2-methoxy-2-phenylethoxy)-2-methylpropoxy]methyl]benzene is sourced from PubChem (CID 59464469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).