[4,4-dimethoxy-1-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene

C24H32O4 — CID 134289630

IUPAC[4,4-dimethoxy-1-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
SMILESCOC1(OC)CCC(COCc2ccccc2)(COCc2ccccc2)CC1
InChIInChI=1S/C24H32O4/c1-25-24(26-2)15-13-23(14-16-24,19-27-17-21-9-5-3-6-10-21)20-28-18-22-11-7-4-8-12-22/h3-12H,13-20H2,1-2H3
InChIKeyREKOVQZIPGFLJT-UHFFFAOYSA-N
MW384.52 g/mol
LogP4.97
Rot. Bonds10

About [4,4-dimethoxy-1-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene

[4,4-dimethoxy-1-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene (PubChem CID 134289630) has the molecular formula C24H32O4 and a molecular weight of 384.52 g/mol. Its IUPAC name is [4,4-dimethoxy-1-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene.

Molecular Properties

Compound Name[4,4-dimethoxy-1-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
PubChem CID134289630
Molecular FormulaC24H32O4
Molecular Weight384.52 g/mol
Exact Mass384.23
IUPAC Name[4,4-dimethoxy-1-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
SMILESCOC1(OC)CCC(COCc2ccccc2)(COCc2ccccc2)CC1
InChIInChI=1S/C24H32O4/c1-25-24(26-2)15-13-23(14-16-24,19-27-17-21-9-5-3-6-10-21)20-28-18-22-11-7-4-8-12-22/h3-12H,13-20H2,1-2H3
InChIKeyREKOVQZIPGFLJT-UHFFFAOYSA-N
XLogP4.97
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[1-(phenylmethoxymethyl)cyclopropyl]ethanamine
CID 65480359
2-[1-(phenylmethoxymethyl)cyclopropyl]acetic acid
CID 65496133
[1-(phenylmethoxymethyl)cyclopentyl]methanol
CID 83671115
N-[[1-(phenylmethoxymethyl)cyclopropyl]methyl]propan-1-amine
CID 102940561
3,3-bis(phenylmethoxymethyl)azetidine
CID 139666551
N-methyl-1-[1-(phenylmethoxymethyl)cyclopentyl]methanamine
CID 102940486
3-ethyl-3-(phenylmethoxymethyl)oxetane
CID 22066200
5-(bromomethyl)-5-(phenylmethoxymethyl)cycloheptene
CID 165445741
N-[[1-(phenylmethoxymethyl)cyclobutyl]methyl]propan-2-amine
CID 102940549
2-methyl-N-[[1-(phenylmethoxymethyl)cyclopentyl]methyl]propan-2-amine
CID 102940491
2-methoxy-2-(phenylmethoxymethyl)cyclopentan-1-one
CID 175604739
2-methyl-2-(phenylmethoxymethyl)oxirane
CID 4613554

Frequently Asked Questions

What is the IUPAC name of [4,4-dimethoxy-1-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene?
The IUPAC name of [4,4-dimethoxy-1-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene (CID 134289630) is [4,4-dimethoxy-1-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene.
What is the SMILES notation for [4,4-dimethoxy-1-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene?
The canonical SMILES for [4,4-dimethoxy-1-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene is COC1(OC)CCC(COCc2ccccc2)(COCc2ccccc2)CC1.
What is the InChIKey of [4,4-dimethoxy-1-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene?
The InChIKey is REKOVQZIPGFLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O4/c1-25-24(26-2)15-13-23(14-16-24,19-27-17-21-9-5-3-6-10-21)20-28-18-22-11-7-4-8-12-22/h3-12H,13-20H2,1-2H3.
What are the key properties of [4,4-dimethoxy-1-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene?
[4,4-dimethoxy-1-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene has a molecular weight of 384.52 g/mol, XLogP of 4.97, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-dimethoxy-1-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene is sourced from PubChem (CID 134289630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).