1-butyl-3,5-bis(2-phenoxyethyl)benzene

C26H30O2 — CID 174735966

IUPAC1-butyl-3,5-bis(2-phenoxyethyl)benzene
SMILESCCCCc1cc(CCOc2ccccc2)cc(CCOc2ccccc2)c1
InChIInChI=1S/C26H30O2/c1-2-3-10-22-19-23(15-17-27-25-11-6-4-7-12-25)21-24(20-22)16-18-28-26-13-8-5-9-14-26/h4-9,11-14,19-21H,2-3,10,15-18H2,1H3
InChIKeyDQXNUSFXHFFODA-UHFFFAOYSA-N
MW374.52 g/mol
LogP6.27
Rot. Bonds11

About 1-butyl-3,5-bis(2-phenoxyethyl)benzene

1-butyl-3,5-bis(2-phenoxyethyl)benzene (PubChem CID 174735966) has the molecular formula C26H30O2 and a molecular weight of 374.52 g/mol. Its IUPAC name is 1-butyl-3,5-bis(2-phenoxyethyl)benzene.

Molecular Properties

Compound Name1-butyl-3,5-bis(2-phenoxyethyl)benzene
PubChem CID174735966
Molecular FormulaC26H30O2
Molecular Weight374.52 g/mol
Exact Mass374.22
IUPAC Name1-butyl-3,5-bis(2-phenoxyethyl)benzene
SMILESCCCCc1cc(CCOc2ccccc2)cc(CCOc2ccccc2)c1
InChIInChI=1S/C26H30O2/c1-2-3-10-22-19-23(15-17-27-25-11-6-4-7-12-25)21-24(20-22)16-18-28-26-13-8-5-9-14-26/h4-9,11-14,19-21H,2-3,10,15-18H2,1H3
InChIKeyDQXNUSFXHFFODA-UHFFFAOYSA-N
XLogP6.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.52
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-butyl-3,5-bis(2-phenoxyethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pentoxybenzene;undecane
CID 174778179
1-(2-phenylethoxy)-4-propylbenzene
CID 70483798
1-hexyl-4-(6-phenylhexoxy)benzene
CID 91256527
1-butyl-3-(4-phenylmethoxybutoxy)benzene
CID 69097411
tributyl(2-phenoxyethyl)stannane
CID 67611861
butane;1-(2-phenylethoxy)-4-propylbenzene
CID 142957775
1,3-difluoro-2-methyl-5-(3-phenoxypropyl)benzene
CID 59931472
azane;propoxybenzene
CID 66667480
CID 161224902
CID 161224902
ethene;nonoxybenzene;sulfane
CID 174919596
1-butyl-3,5-di(octacosoxy)benzene
CID 91381222
acetic acid;butoxybenzene
CID 162338086

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3,5-bis(2-phenoxyethyl)benzene?
The IUPAC name of 1-butyl-3,5-bis(2-phenoxyethyl)benzene (CID 174735966) is 1-butyl-3,5-bis(2-phenoxyethyl)benzene.
What is the SMILES notation for 1-butyl-3,5-bis(2-phenoxyethyl)benzene?
The canonical SMILES for 1-butyl-3,5-bis(2-phenoxyethyl)benzene is CCCCc1cc(CCOc2ccccc2)cc(CCOc2ccccc2)c1.
What is the InChIKey of 1-butyl-3,5-bis(2-phenoxyethyl)benzene?
The InChIKey is DQXNUSFXHFFODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O2/c1-2-3-10-22-19-23(15-17-27-25-11-6-4-7-12-25)21-24(20-22)16-18-28-26-13-8-5-9-14-26/h4-9,11-14,19-21H,2-3,10,15-18H2,1H3.
What are the key properties of 1-butyl-3,5-bis(2-phenoxyethyl)benzene?
1-butyl-3,5-bis(2-phenoxyethyl)benzene has a molecular weight of 374.52 g/mol, XLogP of 6.27, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3,5-bis(2-phenoxyethyl)benzene is sourced from PubChem (CID 174735966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).