1-ethyl-4-(4-phenylbutoxy)benzene

C18H22O — CID 71034747

IUPAC1-ethyl-4-(4-phenylbutoxy)benzene
SMILESCCc1ccc(OCCCCc2ccccc2)cc1
InChIInChI=1S/C18H22O/c1-2-16-11-13-18(14-12-16)19-15-7-6-10-17-8-4-3-5-9-17/h3-5,8-9,11-14H,2,6-7,10,15H2,1H3
InChIKeyHCTTYUZWRQSBMO-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.65
Rot. Bonds7

About 1-ethyl-4-(4-phenylbutoxy)benzene

1-ethyl-4-(4-phenylbutoxy)benzene (PubChem CID 71034747) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-ethyl-4-(4-phenylbutoxy)benzene.

Molecular Properties

Compound Name1-ethyl-4-(4-phenylbutoxy)benzene
PubChem CID71034747
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name1-ethyl-4-(4-phenylbutoxy)benzene
SMILESCCc1ccc(OCCCCc2ccccc2)cc1
InChIInChI=1S/C18H22O/c1-2-16-11-13-18(14-12-16)19-15-7-6-10-17-8-4-3-5-9-17/h3-5,8-9,11-14H,2,6-7,10,15H2,1H3
InChIKeyHCTTYUZWRQSBMO-UHFFFAOYSA-N
XLogP4.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-hexyl-4-(6-phenylhexoxy)benzene
CID 91256527
1,4-bis(6-phenoxyhexyl)benzene
CID 86175301
2-[4-(5-phenylpentoxy)phenyl]ethanamine
CID 22929603
1-hexoxy-4-pentylbenzene
CID 54277450
N-chloro-2-[4-(4-phenylbutoxy)phenyl]ethanamine
CID 89281693
1-methyl-4-(5-phenoxypentyl)benzene
CID 19755668
dimethyl-[4-(4-phenylbutoxy)phenyl]borane;methane
CID 158958715
1-(2-phenylethoxy)-4-propylbenzene
CID 70483798
triphenyl-[[4-(4-phenylbutoxy)phenyl]methyl]phosphanium
CID 23124762
1-(8-methoxyoctyl)-4-phenylmethoxybenzene
CID 15052396
N-[2-(4-ethylphenoxy)ethyl]-4-(2-phenylethoxy)aniline
CID 54800211
butane;1-(2-phenylethoxy)-4-propylbenzene
CID 142957775

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(4-phenylbutoxy)benzene?
The IUPAC name of 1-ethyl-4-(4-phenylbutoxy)benzene (CID 71034747) is 1-ethyl-4-(4-phenylbutoxy)benzene.
What is the SMILES notation for 1-ethyl-4-(4-phenylbutoxy)benzene?
The canonical SMILES for 1-ethyl-4-(4-phenylbutoxy)benzene is CCc1ccc(OCCCCc2ccccc2)cc1.
What is the InChIKey of 1-ethyl-4-(4-phenylbutoxy)benzene?
The InChIKey is HCTTYUZWRQSBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-2-16-11-13-18(14-12-16)19-15-7-6-10-17-8-4-3-5-9-17/h3-5,8-9,11-14H,2,6-7,10,15H2,1H3.
What are the key properties of 1-ethyl-4-(4-phenylbutoxy)benzene?
1-ethyl-4-(4-phenylbutoxy)benzene has a molecular weight of 254.37 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(4-phenylbutoxy)benzene is sourced from PubChem (CID 71034747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).