1-phenyl-4-(trimethoxymethyl)benzene

C16H18O3 — CID 15732571

IUPAC1-phenyl-4-(trimethoxymethyl)benzene
SMILESCOC(OC)(OC)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H18O3/c1-17-16(18-2,19-3)15-11-9-14(10-12-15)13-7-5-4-6-8-13/h4-12H,1-3H3
InChIKeyPANSYMVIYZKGRN-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.40
Rot. Bonds5

About 1-phenyl-4-(trimethoxymethyl)benzene

1-phenyl-4-(trimethoxymethyl)benzene (PubChem CID 15732571) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-phenyl-4-(trimethoxymethyl)benzene.

Molecular Properties

Compound Name1-phenyl-4-(trimethoxymethyl)benzene
PubChem CID15732571
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name1-phenyl-4-(trimethoxymethyl)benzene
SMILESCOC(OC)(OC)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H18O3/c1-17-16(18-2,19-3)15-11-9-14(10-12-15)13-7-5-4-6-8-13/h4-12H,1-3H3
InChIKeyPANSYMVIYZKGRN-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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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-(trimethoxymethyl)benzene?
The IUPAC name of 1-phenyl-4-(trimethoxymethyl)benzene (CID 15732571) is 1-phenyl-4-(trimethoxymethyl)benzene.
What is the SMILES notation for 1-phenyl-4-(trimethoxymethyl)benzene?
The canonical SMILES for 1-phenyl-4-(trimethoxymethyl)benzene is COC(OC)(OC)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-phenyl-4-(trimethoxymethyl)benzene?
The InChIKey is PANSYMVIYZKGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-17-16(18-2,19-3)15-11-9-14(10-12-15)13-7-5-4-6-8-13/h4-12H,1-3H3.
What are the key properties of 1-phenyl-4-(trimethoxymethyl)benzene?
1-phenyl-4-(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-4-(trimethoxymethyl)benzene is sourced from PubChem (CID 15732571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).