1-butyl-4-(2-phenylmethoxyethyl)benzene

C19H24O — CID 137452332

IUPAC1-butyl-4-(2-phenylmethoxyethyl)benzene
SMILESCCCCc1ccc(CCOCc2ccccc2)cc1
InChIInChI=1S/C19H24O/c1-2-3-7-17-10-12-18(13-11-17)14-15-20-16-19-8-5-4-6-9-19/h4-6,8-13H,2-3,7,14-16H2,1H3
InChIKeyJZOIMTRTBFNTBE-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.79
Rot. Bonds8

About 1-butyl-4-(2-phenylmethoxyethyl)benzene

1-butyl-4-(2-phenylmethoxyethyl)benzene (PubChem CID 137452332) has the molecular formula C19H24O and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-butyl-4-(2-phenylmethoxyethyl)benzene.

Molecular Properties

Compound Name1-butyl-4-(2-phenylmethoxyethyl)benzene
PubChem CID137452332
Molecular FormulaC19H24O
Molecular Weight268.40 g/mol
Exact Mass268.18
IUPAC Name1-butyl-4-(2-phenylmethoxyethyl)benzene
SMILESCCCCc1ccc(CCOCc2ccccc2)cc1
InChIInChI=1S/C19H24O/c1-2-3-7-17-10-12-18(13-11-17)14-15-20-16-19-8-5-4-6-9-19/h4-6,8-13H,2-3,7,14-16H2,1H3
InChIKeyJZOIMTRTBFNTBE-UHFFFAOYSA-N
XLogP4.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.79
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-butyl-4-[(4-butylphenyl)methoxymethyl]benzene
CID 21471119
butoxymethylbenzene;ethane
CID 145341806
lithium;butoxymethylbenzene;hydride
CID 175482454
2-pentoxyethylbenzene
CID 3022447
2-(butoxymethoxy)ethylbenzene
CID 14640423
azane;hexoxymethylbenzene
CID 174805489
1-butyl-3-(4-phenylmethoxybutoxy)benzene
CID 69097411
5-(2-hexoxyethoxy)pentoxymethylbenzene
CID 160938924
2-hexadecoxyethoxymethylbenzene
CID 19965709
2-(2-heptoxyethoxy)ethoxymethylbenzene
CID 123339460
2-dodecoxyethoxymethylbenzene
CID 12857482
butylbenzene;propylbenzene
CID 142022125

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(2-phenylmethoxyethyl)benzene?
The IUPAC name of 1-butyl-4-(2-phenylmethoxyethyl)benzene (CID 137452332) is 1-butyl-4-(2-phenylmethoxyethyl)benzene.
What is the SMILES notation for 1-butyl-4-(2-phenylmethoxyethyl)benzene?
The canonical SMILES for 1-butyl-4-(2-phenylmethoxyethyl)benzene is CCCCc1ccc(CCOCc2ccccc2)cc1.
What is the InChIKey of 1-butyl-4-(2-phenylmethoxyethyl)benzene?
The InChIKey is JZOIMTRTBFNTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O/c1-2-3-7-17-10-12-18(13-11-17)14-15-20-16-19-8-5-4-6-9-19/h4-6,8-13H,2-3,7,14-16H2,1H3.
What are the key properties of 1-butyl-4-(2-phenylmethoxyethyl)benzene?
1-butyl-4-(2-phenylmethoxyethyl)benzene has a molecular weight of 268.40 g/mol, XLogP of 4.79, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(2-phenylmethoxyethyl)benzene is sourced from PubChem (CID 137452332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).