1-methyl-4-(1-phenylbutoxy)benzene

C17H20O — CID 59718095

IUPAC1-methyl-4-(1-phenylbutoxy)benzene
SMILESCCCC(Oc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C17H20O/c1-3-7-17(15-8-5-4-6-9-15)18-16-12-10-14(2)11-13-16/h4-6,8-13,17H,3,7H2,1-2H3
InChIKeyMVCACQXJDMODNA-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.92
Rot. Bonds5

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

1-methyl-4-(1-phenylbutoxy)benzene (PubChem CID 59718095) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-methyl-4-(1-phenylbutoxy)benzene.

Molecular Properties

Compound Name1-methyl-4-(1-phenylbutoxy)benzene
PubChem CID59718095
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name1-methyl-4-(1-phenylbutoxy)benzene
SMILESCCCC(Oc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C17H20O/c1-3-7-17(15-8-5-4-6-9-15)18-16-12-10-14(2)11-13-16/h4-6,8-13,17H,3,7H2,1-2H3
InChIKeyMVCACQXJDMODNA-UHFFFAOYSA-N
XLogP4.92
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 ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1-phenylbutoxy)benzene?
The IUPAC name of 1-methyl-4-(1-phenylbutoxy)benzene (CID 59718095) is 1-methyl-4-(1-phenylbutoxy)benzene.
What is the SMILES notation for 1-methyl-4-(1-phenylbutoxy)benzene?
The canonical SMILES for 1-methyl-4-(1-phenylbutoxy)benzene is CCCC(Oc1ccc(C)cc1)c1ccccc1.
What is the InChIKey of 1-methyl-4-(1-phenylbutoxy)benzene?
The InChIKey is MVCACQXJDMODNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c1-3-7-17(15-8-5-4-6-9-15)18-16-12-10-14(2)11-13-16/h4-6,8-13,17H,3,7H2,1-2H3.
What are the key properties of 1-methyl-4-(1-phenylbutoxy)benzene?
1-methyl-4-(1-phenylbutoxy)benzene has a molecular weight of 240.35 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-phenylbutoxy)benzene is sourced from PubChem (CID 59718095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).