1-phenyl-3-(trimethoxymethyl)benzene

C16H18O3 — CID 165469818

IUPAC1-phenyl-3-(trimethoxymethyl)benzene
SMILESCOC(OC)(OC)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C16H18O3/c1-17-16(18-2,19-3)15-11-7-10-14(12-15)13-8-5-4-6-9-13/h4-12H,1-3H3
InChIKeySJQNPJHSLICZMB-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.40
Rot. Bonds5

About 1-phenyl-3-(trimethoxymethyl)benzene

1-phenyl-3-(trimethoxymethyl)benzene (PubChem CID 165469818) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-phenyl-3-(trimethoxymethyl)benzene.

Molecular Properties

Compound Name1-phenyl-3-(trimethoxymethyl)benzene
PubChem CID165469818
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name1-phenyl-3-(trimethoxymethyl)benzene
SMILESCOC(OC)(OC)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C16H18O3/c1-17-16(18-2,19-3)15-11-7-10-14(12-15)13-8-5-4-6-9-13/h4-12H,1-3H3
InChIKeySJQNPJHSLICZMB-UHFFFAOYSA-N
XLogP3.40
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Bis(1-phenylethyl) ether
CID 62342
2,2-Diphenyltetrahydrofuran
CID 70175
Methyl trityl ether
CID 136388
1,1-Dibenzyloxy-2-phenylethane
CID 95980
Trimethyl orthobeznoate
CID 69720
1,1'-(Dimethoxymethylene)bisbenzene
CID 75228
Benzene, 1,1'-(methoxymethylene)bis-
CID 219159
2,5-Dimethoxy-2,5-diphenyl-1,4-dioxane
CID 5059104
Benzene, (triethoxymethyl)-
CID 74268
Dibenzyl carbonate
CID 77002
Benzene, (1,1-dimethoxyethyl)-
CID 78008
Benzene, 1-(dimethoxymethyl)-4-(1-methylethyl)-
CID 105591

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(trimethoxymethyl)benzene?
The IUPAC name of 1-phenyl-3-(trimethoxymethyl)benzene (CID 165469818) is 1-phenyl-3-(trimethoxymethyl)benzene.
What is the SMILES notation for 1-phenyl-3-(trimethoxymethyl)benzene?
The canonical SMILES for 1-phenyl-3-(trimethoxymethyl)benzene is COC(OC)(OC)c1cccc(-c2ccccc2)c1.
What is the InChIKey of 1-phenyl-3-(trimethoxymethyl)benzene?
The InChIKey is SJQNPJHSLICZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-17-16(18-2,19-3)15-11-7-10-14(12-15)13-8-5-4-6-9-13/h4-12H,1-3H3.
What are the key properties of 1-phenyl-3-(trimethoxymethyl)benzene?
1-phenyl-3-(trimethoxymethyl)benzene has a molecular weight of 258.32 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(trimethoxymethyl)benzene is sourced from PubChem (CID 165469818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).