1-(2-methylbutan-2-yl)-4-phenoxybenzene

C17H20O — CID 67473143

IUPAC1-(2-methylbutan-2-yl)-4-phenoxybenzene
SMILESCCC(C)(C)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H20O/c1-4-17(2,3)14-10-12-16(13-11-14)18-15-8-6-5-7-9-15/h5-13H,4H2,1-3H3
InChIKeyATTFSUBUQDRIAC-UHFFFAOYSA-N
MW240.35 g/mol
LogP5.17
Rot. Bonds4

About 1-(2-methylbutan-2-yl)-4-phenoxybenzene

1-(2-methylbutan-2-yl)-4-phenoxybenzene (PubChem CID 67473143) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(2-methylbutan-2-yl)-4-phenoxybenzene.

Molecular Properties

Compound Name1-(2-methylbutan-2-yl)-4-phenoxybenzene
PubChem CID67473143
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name1-(2-methylbutan-2-yl)-4-phenoxybenzene
SMILESCCC(C)(C)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H20O/c1-4-17(2,3)14-10-12-16(13-11-14)18-15-8-6-5-7-9-15/h5-13H,4H2,1-3H3
InChIKeyATTFSUBUQDRIAC-UHFFFAOYSA-N
XLogP5.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.35
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2-methylbutan-2-yl)-4-phenoxybenzene 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

1-phenoxy-4-(2,4,4-trimethylhexan-2-yl)benzene
CID 123620932
(1R)-1-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]ethanol
CID 78944666
(1S)-1-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]ethanamine
CID 28537427
2,4-bis[4-(2-methylbutan-2-yl)phenoxy]aniline
CID 20504800
phenyl 4-(2-methylbutan-2-yl)benzoate
CID 67160736
1-benzyl-4-(2-methylbutan-2-yl)benzene
CID 54402390
1-N,4-N-bis[4-(2-methylbutan-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 143918142
2-chloro-4-[4-(2-methylbutan-2-yl)phenoxy]aniline
CID 106701502
ethane;phenoxybenzene;propane
CID 90923491
[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]urea
CID 129255825
1-(2-methylbutan-2-yl)-4-methylsulfanyloxybenzene
CID 143233816
5-iodo-2-[4-(2-methylbutan-2-yl)phenoxy]pyrimidine
CID 116649130

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutan-2-yl)-4-phenoxybenzene?
The IUPAC name of 1-(2-methylbutan-2-yl)-4-phenoxybenzene (CID 67473143) is 1-(2-methylbutan-2-yl)-4-phenoxybenzene.
What is the SMILES notation for 1-(2-methylbutan-2-yl)-4-phenoxybenzene?
The canonical SMILES for 1-(2-methylbutan-2-yl)-4-phenoxybenzene is CCC(C)(C)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-(2-methylbutan-2-yl)-4-phenoxybenzene?
The InChIKey is ATTFSUBUQDRIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c1-4-17(2,3)14-10-12-16(13-11-14)18-15-8-6-5-7-9-15/h5-13H,4H2,1-3H3.
What are the key properties of 1-(2-methylbutan-2-yl)-4-phenoxybenzene?
1-(2-methylbutan-2-yl)-4-phenoxybenzene has a molecular weight of 240.35 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutan-2-yl)-4-phenoxybenzene is sourced from PubChem (CID 67473143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).