1-(3-methylbutoxy)-4-phenylbenzene

C17H20O — CID 91725732

IUPAC1-(3-methylbutoxy)-4-phenylbenzene
SMILESCC(C)CCOc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H20O/c1-14(2)12-13-18-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3
InChIKeyUEIKSRJAAZGMLI-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.78
Rot. Bonds5

About 1-(3-methylbutoxy)-4-phenylbenzene

1-(3-methylbutoxy)-4-phenylbenzene (PubChem CID 91725732) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(3-methylbutoxy)-4-phenylbenzene.

Molecular Properties

Compound Name1-(3-methylbutoxy)-4-phenylbenzene
PubChem CID91725732
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name1-(3-methylbutoxy)-4-phenylbenzene
SMILESCC(C)CCOc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H20O/c1-14(2)12-13-18-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3
InChIKeyUEIKSRJAAZGMLI-UHFFFAOYSA-N
XLogP4.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-methylpentoxy)-4-phenylbenzene
CID 19777688
1-(3-methylbutoxy)-4-[4-(2-methylpropyl)phenyl]benzene
CID 169289853
[4-[4-(3-methylbutoxy)phenyl]phenyl]methanamine
CID 43174546
1-(2-methoxyethoxy)-4-phenylbenzene
CID 20582782
1-(4-methylpentoxy)-4-phenoxybenzene
CID 118535405
1-phenyl-4-[2-[2-[2-[2-[2-(4-phenylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 86003700
1-[(6S)-6-methyldecoxy]-4-phenylbenzene
CID 54076059
N-[[4-(3-methylbutoxy)phenyl]methyl]aniline
CID 29039678
1-ethyl-4-(3-methylbutoxy)benzene
CID 60722998
1-pentoxy-4-phenylbenzene
CID 7021155
2-amino-4-(4-phenylphenoxy)butanoic acid
CID 63041328
3-methyl-N-[2-(4-phenylphenoxy)ethyl]butan-2-amine
CID 63517055

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutoxy)-4-phenylbenzene?
The IUPAC name of 1-(3-methylbutoxy)-4-phenylbenzene (CID 91725732) is 1-(3-methylbutoxy)-4-phenylbenzene.
What is the SMILES notation for 1-(3-methylbutoxy)-4-phenylbenzene?
The canonical SMILES for 1-(3-methylbutoxy)-4-phenylbenzene is CC(C)CCOc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(3-methylbutoxy)-4-phenylbenzene?
The InChIKey is UEIKSRJAAZGMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c1-14(2)12-13-18-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3.
What are the key properties of 1-(3-methylbutoxy)-4-phenylbenzene?
1-(3-methylbutoxy)-4-phenylbenzene has a molecular weight of 240.35 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutoxy)-4-phenylbenzene is sourced from PubChem (CID 91725732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).