1-benzyl-2-(2-methylprop-1-enoxy)benzene

C17H18O — CID 174614217

IUPAC1-benzyl-2-(2-methylprop-1-enoxy)benzene
SMILESCC(C)=COc1ccccc1Cc1ccccc1
InChIInChI=1S/C17H18O/c1-14(2)13-18-17-11-7-6-10-16(17)12-15-8-4-3-5-9-15/h3-11,13H,12H2,1-2H3
InChIKeyOYRJYXONHDZDPM-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.58
Rot. Bonds4

About 1-benzyl-2-(2-methylprop-1-enoxy)benzene

1-benzyl-2-(2-methylprop-1-enoxy)benzene (PubChem CID 174614217) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-benzyl-2-(2-methylprop-1-enoxy)benzene.

Molecular Properties

Compound Name1-benzyl-2-(2-methylprop-1-enoxy)benzene
PubChem CID174614217
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name1-benzyl-2-(2-methylprop-1-enoxy)benzene
SMILESCC(C)=COc1ccccc1Cc1ccccc1
InChIInChI=1S/C17H18O/c1-14(2)13-18-17-11-7-6-10-16(17)12-15-8-4-3-5-9-15/h3-11,13H,12H2,1-2H3
InChIKeyOYRJYXONHDZDPM-UHFFFAOYSA-N
XLogP4.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

[2-(2-methylprop-1-enoxy)phenyl]methanol
CID 121219203
(2-benzylphenyl) formate
CID 146231957
1-benzyl-2-phenoxybenzene;phosphane
CID 174871749
2-(2-benzylphenoxy)-2-oxoacetic acid
CID 141025614
methyl 2-(2-benzylphenoxy)acetate
CID 43237517
2-(2-benzylphenoxy)-N-methylacetamide
CID 7661700
bis(2-benzylphenoxy)-oxophosphanium
CID 67546168
bis(2-benzylphenoxy)-fluorophosphane
CID 54155008
2-(2-benzylphenoxy)-N-methylethanamine
CID 12660328
benzylbenzene;methoxymethane
CID 161110966
2-benzylphenol;ethane
CID 91068983
1,2-dibenzyl-3-(2,3-dibenzylphenoxy)benzene
CID 18332089

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(2-methylprop-1-enoxy)benzene?
The IUPAC name of 1-benzyl-2-(2-methylprop-1-enoxy)benzene (CID 174614217) is 1-benzyl-2-(2-methylprop-1-enoxy)benzene.
What is the SMILES notation for 1-benzyl-2-(2-methylprop-1-enoxy)benzene?
The canonical SMILES for 1-benzyl-2-(2-methylprop-1-enoxy)benzene is CC(C)=COc1ccccc1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-(2-methylprop-1-enoxy)benzene?
The InChIKey is OYRJYXONHDZDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-14(2)13-18-17-11-7-6-10-16(17)12-15-8-4-3-5-9-15/h3-11,13H,12H2,1-2H3.
What are the key properties of 1-benzyl-2-(2-methylprop-1-enoxy)benzene?
1-benzyl-2-(2-methylprop-1-enoxy)benzene has a molecular weight of 238.33 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(2-methylprop-1-enoxy)benzene is sourced from PubChem (CID 174614217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).