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

C18H22O — CID 58079027

IUPAC1-butan-2-yl-4-(1-phenylethoxy)benzene
SMILESCCC(C)c1ccc(OC(C)c2ccccc2)cc1
InChIInChI=1S/C18H22O/c1-4-14(2)16-10-12-18(13-11-16)19-15(3)17-8-6-5-7-9-17/h5-15H,4H2,1-3H3
InChIKeyAQEANZSWDCKPBT-UHFFFAOYSA-N
MW254.37 g/mol
LogP5.34
Rot. Bonds5

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

1-butan-2-yl-4-(1-phenylethoxy)benzene (PubChem CID 58079027) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-butan-2-yl-4-(1-phenylethoxy)benzene.

Molecular Properties

Compound Name1-butan-2-yl-4-(1-phenylethoxy)benzene
PubChem CID58079027
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name1-butan-2-yl-4-(1-phenylethoxy)benzene
SMILESCCC(C)c1ccc(OC(C)c2ccccc2)cc1
InChIInChI=1S/C18H22O/c1-4-14(2)16-10-12-18(13-11-16)19-15(3)17-8-6-5-7-9-17/h5-15H,4H2,1-3H3
InChIKeyAQEANZSWDCKPBT-UHFFFAOYSA-N
XLogP5.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.37
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-amine
CID 78960186
(1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-ol
CID 78960222
1-(4-butan-2-ylphenoxy)-1-phenylpropan-2-amine
CID 107663944
1-butan-2-yl-4-propan-2-yloxybenzene
CID 18730967
azanium N-hydroxy-3-[4-(1-phenylethoxy)phenyl]butanamide
CID 19868724
1-butan-2-yl-4-(3,3-dimethylbutan-2-yloxy)benzene
CID 159159765
N-[1-[4-(1-phenylethoxy)phenyl]ethyl]hydroxylamine
CID 10658809
1-(1-phenylethoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 91223677
N,N-diethylethanamine;N-hydroxy-3-[4-(1-phenylethoxy)phenyl]butanamide
CID 88608313
2-(4-butan-2-ylphenoxy)propan-1-ol
CID 54018787
4-(1-phenoxyethyl)aniline
CID 61262602
1-butan-2-yl-4-[2-phenyl-1-(2-propan-2-ylphenyl)ethoxy]benzene
CID 173361622

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-(1-phenylethoxy)benzene?
The IUPAC name of 1-butan-2-yl-4-(1-phenylethoxy)benzene (CID 58079027) is 1-butan-2-yl-4-(1-phenylethoxy)benzene.
What is the SMILES notation for 1-butan-2-yl-4-(1-phenylethoxy)benzene?
The canonical SMILES for 1-butan-2-yl-4-(1-phenylethoxy)benzene is CCC(C)c1ccc(OC(C)c2ccccc2)cc1.
What is the InChIKey of 1-butan-2-yl-4-(1-phenylethoxy)benzene?
The InChIKey is AQEANZSWDCKPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-4-14(2)16-10-12-18(13-11-16)19-15(3)17-8-6-5-7-9-17/h5-15H,4H2,1-3H3.
What are the key properties of 1-butan-2-yl-4-(1-phenylethoxy)benzene?
1-butan-2-yl-4-(1-phenylethoxy)benzene has a molecular weight of 254.37 g/mol, XLogP of 5.34, 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-(1-phenylethoxy)benzene is sourced from PubChem (CID 58079027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).