butane;1-(2-phenylethoxy)-4-propylbenzene

C21H30O — CID 142957775

IUPACbutane;1-(2-phenylethoxy)-4-propylbenzene
SMILESCCCC.CCCc1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C17H20O.C4H10/c1-2-6-15-9-11-17(12-10-15)18-14-13-16-7-4-3-5-8-16;1-3-4-2/h3-5,7-12H,2,6,13-14H2,1H3;3-4H2,1-2H3
InChIKeyAMWZJRBPKZWAGZ-UHFFFAOYSA-N
MW298.47 g/mol
LogP6.07
Rot. Bonds7

About butane;1-(2-phenylethoxy)-4-propylbenzene

butane;1-(2-phenylethoxy)-4-propylbenzene (PubChem CID 142957775) has the molecular formula C21H30O and a molecular weight of 298.47 g/mol. Its IUPAC name is butane;1-(2-phenylethoxy)-4-propylbenzene.

Molecular Properties

Compound Namebutane;1-(2-phenylethoxy)-4-propylbenzene
PubChem CID142957775
Molecular FormulaC21H30O
Molecular Weight298.47 g/mol
Exact Mass298.23
IUPAC Namebutane;1-(2-phenylethoxy)-4-propylbenzene
SMILESCCCC.CCCc1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C17H20O.C4H10/c1-2-6-15-9-11-17(12-10-15)18-14-13-16-7-4-3-5-8-16;1-3-4-2/h3-5,7-12H,2,6,13-14H2,1H3;3-4H2,1-2H3
InChIKeyAMWZJRBPKZWAGZ-UHFFFAOYSA-N
XLogP6.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.47
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-phenylethoxy)-4-propylbenzene
CID 70483798
1-methoxy-4-(2-phenylethoxy)benzene
CID 101213669
1-methyl-4-(2-phenylethoxy)benzene;dihydrochloride
CID 174678575
1-hexyl-4-(6-phenylhexoxy)benzene
CID 91256527
1-phenoxy-4-[2-(4-phenoxyphenoxy)ethyl]benzene
CID 130400104
1-nonoxy-4-propylbenzene
CID 118632119
1-ethyl-4-(4-phenylbutoxy)benzene
CID 71034747
1-butan-2-yl-4-(2-phenylethoxy)benzene
CID 90246528
1-butoxy-4-(2-phenylsulfanylethyl)benzene;pentahydrofluoride
CID 67939398
N-[2-(4-ethylphenoxy)ethyl]-4-(2-phenylethoxy)aniline
CID 54800211
N-ethyl-1-[4-(2-phenylethoxy)phenyl]propan-1-amine
CID 43280157
propylbenzene;hydrobromide
CID 70024036

Frequently Asked Questions

What is the IUPAC name of butane;1-(2-phenylethoxy)-4-propylbenzene?
The IUPAC name of butane;1-(2-phenylethoxy)-4-propylbenzene (CID 142957775) is butane;1-(2-phenylethoxy)-4-propylbenzene.
What is the SMILES notation for butane;1-(2-phenylethoxy)-4-propylbenzene?
The canonical SMILES for butane;1-(2-phenylethoxy)-4-propylbenzene is CCCC.CCCc1ccc(OCCc2ccccc2)cc1.
What is the InChIKey of butane;1-(2-phenylethoxy)-4-propylbenzene?
The InChIKey is AMWZJRBPKZWAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O.C4H10/c1-2-6-15-9-11-17(12-10-15)18-14-13-16-7-4-3-5-8-16;1-3-4-2/h3-5,7-12H,2,6,13-14H2,1H3;3-4H2,1-2H3.
What are the key properties of butane;1-(2-phenylethoxy)-4-propylbenzene?
butane;1-(2-phenylethoxy)-4-propylbenzene has a molecular weight of 298.47 g/mol, XLogP of 6.07, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;1-(2-phenylethoxy)-4-propylbenzene is sourced from PubChem (CID 142957775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).