1-methyl-3-[3-(2-methylpropoxy)phenyl]benzene

C17H20O — CID 144804713

IUPAC1-methyl-3-[3-(2-methylpropoxy)phenyl]benzene
SMILESCc1cccc(-c2cccc(OCC(C)C)c2)c1
InChIInChI=1S/C17H20O/c1-13(2)12-18-17-9-5-8-16(11-17)15-7-4-6-14(3)10-15/h4-11,13H,12H2,1-3H3
InChIKeyGHEYSISTWYWAHB-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.70
Rot. Bonds4

About 1-methyl-3-[3-(2-methylpropoxy)phenyl]benzene

1-methyl-3-[3-(2-methylpropoxy)phenyl]benzene (PubChem CID 144804713) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-methyl-3-[3-(2-methylpropoxy)phenyl]benzene.

Molecular Properties

Compound Name1-methyl-3-[3-(2-methylpropoxy)phenyl]benzene
PubChem CID144804713
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name1-methyl-3-[3-(2-methylpropoxy)phenyl]benzene
SMILESCc1cccc(-c2cccc(OCC(C)C)c2)c1
InChIInChI=1S/C17H20O/c1-13(2)12-18-17-9-5-8-16(11-17)15-7-4-6-14(3)10-15/h4-11,13H,12H2,1-3H3
InChIKeyGHEYSISTWYWAHB-UHFFFAOYSA-N
XLogP4.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[3-[3-(2-methylpropoxy)phenyl]phenyl] acetate
CID 91802880
diethyl-bis[4-[3-(2-methylpropoxy)phenyl]phenyl]silane
CID 177480590
(2S)-2-methyl-3-(3-methylphenoxy)propan-1-amine
CID 93237376
1-(2-methylpropoxy)-3-propan-2-ylbenzene
CID 23399142
6-methyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylic acid
CID 842809
1-buta-1,3-diynyl-4-[3-(2-methylpropoxy)phenyl]benzene
CID 139636207
ethane;1-methoxy-3-(3-methylphenyl)benzene
CID 142945497
ethane;1-(2-methylpropoxy)-3-propan-2-ylbenzene
CID 142361256
4-methyl-5-[3-(2-methylpropoxy)phenyl]-1,3-thiazol-2-amine
CID 82161283
[2-methyl-6-[3-(2-methylpropoxy)phenyl]-3-pyridinyl]methanamine
CID 82453076
1-methyl-3-(2,4,4-trimethylpentoxy)benzene
CID 163995199
3-methyl-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079530

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-(2-methylpropoxy)phenyl]benzene?
The IUPAC name of 1-methyl-3-[3-(2-methylpropoxy)phenyl]benzene (CID 144804713) is 1-methyl-3-[3-(2-methylpropoxy)phenyl]benzene.
What is the SMILES notation for 1-methyl-3-[3-(2-methylpropoxy)phenyl]benzene?
The canonical SMILES for 1-methyl-3-[3-(2-methylpropoxy)phenyl]benzene is Cc1cccc(-c2cccc(OCC(C)C)c2)c1.
What is the InChIKey of 1-methyl-3-[3-(2-methylpropoxy)phenyl]benzene?
The InChIKey is GHEYSISTWYWAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c1-13(2)12-18-17-9-5-8-16(11-17)15-7-4-6-14(3)10-15/h4-11,13H,12H2,1-3H3.
What are the key properties of 1-methyl-3-[3-(2-methylpropoxy)phenyl]benzene?
1-methyl-3-[3-(2-methylpropoxy)phenyl]benzene has a molecular weight of 240.35 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-(2-methylpropoxy)phenyl]benzene is sourced from PubChem (CID 144804713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).