1-butan-2-yl-4-(phenoxymethyl)benzene

C17H20O — CID 59819141

IUPAC1-butan-2-yl-4-(phenoxymethyl)benzene
SMILESCCC(C)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C17H20O/c1-3-14(2)16-11-9-15(10-12-16)13-18-17-7-5-4-6-8-17/h4-12,14H,3,13H2,1-2H3
InChIKeyOBJRFNHDNGLTBF-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.78
Rot. Bonds5

About 1-butan-2-yl-4-(phenoxymethyl)benzene

1-butan-2-yl-4-(phenoxymethyl)benzene (PubChem CID 59819141) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-butan-2-yl-4-(phenoxymethyl)benzene.

Molecular Properties

Compound Name1-butan-2-yl-4-(phenoxymethyl)benzene
PubChem CID59819141
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name1-butan-2-yl-4-(phenoxymethyl)benzene
SMILESCCC(C)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C17H20O/c1-3-14(2)16-11-9-15(10-12-16)13-18-17-7-5-4-6-8-17/h4-12,14H,3,13H2,1-2H3
InChIKeyOBJRFNHDNGLTBF-UHFFFAOYSA-N
XLogP4.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-butan-2-yl-4-[(4-ethylphenyl)methoxy]benzene
CID 107669037
N-methyl-2-[4-(phenoxymethyl)phenyl]propan-1-amine
CID 105350614
4-butan-2-ylphenol;1-[(4-butan-2-ylphenoxy)methyl]-3,5-bis(phenylmethoxy)benzene
CID 158085246
ethane;(1S)-1-[4-(phenoxymethyl)phenyl]ethanamine
CID 154659540
4-[(4-butan-2-ylphenoxy)methyl]benzenecarbothioamide
CID 107664941
butan-2-ylbenzene;4-[(4-butan-2-ylphenyl)methoxy]-2-hydroxybenzoic acid
CID 158505754
1-butan-2-yl-4-(2-phenylethoxy)benzene
CID 90246528
1-butan-2-yl-4-(3-phenylpropoxy)benzene
CID 103601085
1-(4,4-dimethylpentan-2-yl)-4-phenylmethoxybenzene
CID 23566423
1-butan-2-yl-4-[(3-chlorophenyl)methoxy]benzene
CID 103599968
1-(4-phenylmethoxyphenyl)propan-1-amine
CID 16795854
1-butan-2-yl-4-[[2-(chloromethyl)phenyl]methoxy]benzene
CID 139652394

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-(phenoxymethyl)benzene?
The IUPAC name of 1-butan-2-yl-4-(phenoxymethyl)benzene (CID 59819141) is 1-butan-2-yl-4-(phenoxymethyl)benzene.
What is the SMILES notation for 1-butan-2-yl-4-(phenoxymethyl)benzene?
The canonical SMILES for 1-butan-2-yl-4-(phenoxymethyl)benzene is CCC(C)c1ccc(COc2ccccc2)cc1.
What is the InChIKey of 1-butan-2-yl-4-(phenoxymethyl)benzene?
The InChIKey is OBJRFNHDNGLTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c1-3-14(2)16-11-9-15(10-12-16)13-18-17-7-5-4-6-8-17/h4-12,14H,3,13H2,1-2H3.
What are the key properties of 1-butan-2-yl-4-(phenoxymethyl)benzene?
1-butan-2-yl-4-(phenoxymethyl)benzene has a molecular weight of 240.35 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-(phenoxymethyl)benzene is sourced from PubChem (CID 59819141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).