1-methyl-2-(2-methyl-1-propan-2-yloxypropyl)-4-propoxybenzene

C17H28O2 — CID 159707960

IUPAC1-methyl-2-(2-methyl-1-propan-2-yloxypropyl)-4-propoxybenzene
SMILESCCCOc1ccc(C)c(C(OC(C)C)C(C)C)c1
InChIInChI=1S/C17H28O2/c1-7-10-18-15-9-8-14(6)16(11-15)17(12(2)3)19-13(4)5/h8-9,11-13,17H,7,10H2,1-6H3
InChIKeyMYLPPEGAYBDZHG-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.91
Rot. Bonds7

About 1-methyl-2-(2-methyl-1-propan-2-yloxypropyl)-4-propoxybenzene

1-methyl-2-(2-methyl-1-propan-2-yloxypropyl)-4-propoxybenzene (PubChem CID 159707960) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-methyl-2-(2-methyl-1-propan-2-yloxypropyl)-4-propoxybenzene.

Molecular Properties

Compound Name1-methyl-2-(2-methyl-1-propan-2-yloxypropyl)-4-propoxybenzene
PubChem CID159707960
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name1-methyl-2-(2-methyl-1-propan-2-yloxypropyl)-4-propoxybenzene
SMILESCCCOc1ccc(C)c(C(OC(C)C)C(C)C)c1
InChIInChI=1S/C17H28O2/c1-7-10-18-15-9-8-14(6)16(11-15)17(12(2)3)19-13(4)5/h8-9,11-13,17H,7,10H2,1-6H3
InChIKeyMYLPPEGAYBDZHG-UHFFFAOYSA-N
XLogP4.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-dimethyl-4-propoxybenzene
CID 23549082
2-(4-methyl-3-propan-2-ylphenoxy)ethanamine
CID 146289761
1-(2-fluoro-4-propoxyphenyl)ethanol
CID 107719521
1-propan-2-yloxy-4-propoxybenzene
CID 57276091
1-[(Z)-hex-4-en-2-yl]-2-methyl-4-propoxybenzene
CID 83936914
1,2-dimethyl-4-(2-propoxyethoxy)benzene
CID 155584258
1-bromo-2-(difluoromethyl)-4-propoxybenzene
CID 154815131
1-(2,4-dipropoxyphenyl)ethanol
CID 82263776
(5-chloro-2-methylphenyl)-(4-propoxyphenyl)methanamine
CID 115853390
1-(2-fluoro-5-propoxyphenyl)-2,2-dimethylpropan-1-ol
CID 171366377
2-fluoro-4-hexoxy-1-methylbenzene
CID 58718900
1-tert-butyl-2-methyl-4-propoxybenzene
CID 170076191

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methyl-1-propan-2-yloxypropyl)-4-propoxybenzene?
The IUPAC name of 1-methyl-2-(2-methyl-1-propan-2-yloxypropyl)-4-propoxybenzene (CID 159707960) is 1-methyl-2-(2-methyl-1-propan-2-yloxypropyl)-4-propoxybenzene.
What is the SMILES notation for 1-methyl-2-(2-methyl-1-propan-2-yloxypropyl)-4-propoxybenzene?
The canonical SMILES for 1-methyl-2-(2-methyl-1-propan-2-yloxypropyl)-4-propoxybenzene is CCCOc1ccc(C)c(C(OC(C)C)C(C)C)c1.
What is the InChIKey of 1-methyl-2-(2-methyl-1-propan-2-yloxypropyl)-4-propoxybenzene?
The InChIKey is MYLPPEGAYBDZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-7-10-18-15-9-8-14(6)16(11-15)17(12(2)3)19-13(4)5/h8-9,11-13,17H,7,10H2,1-6H3.
What are the key properties of 1-methyl-2-(2-methyl-1-propan-2-yloxypropyl)-4-propoxybenzene?
1-methyl-2-(2-methyl-1-propan-2-yloxypropyl)-4-propoxybenzene has a molecular weight of 264.41 g/mol, XLogP of 4.91, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methyl-1-propan-2-yloxypropyl)-4-propoxybenzene is sourced from PubChem (CID 159707960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).