2-methyl-4-pentan-3-yl-1-propan-2-yloxybenzene

C15H24O — CID 134400936

IUPAC2-methyl-4-pentan-3-yl-1-propan-2-yloxybenzene
SMILESCCC(CC)c1ccc(OC(C)C)c(C)c1
InChIInChI=1S/C15H24O/c1-6-13(7-2)14-8-9-15(12(5)10-14)16-11(3)4/h8-11,13H,6-7H2,1-5H3
InChIKeyOBUFESUDDIXLPQ-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.69
Rot. Bonds5

About 2-methyl-4-pentan-3-yl-1-propan-2-yloxybenzene

2-methyl-4-pentan-3-yl-1-propan-2-yloxybenzene (PubChem CID 134400936) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-methyl-4-pentan-3-yl-1-propan-2-yloxybenzene.

Molecular Properties

Compound Name2-methyl-4-pentan-3-yl-1-propan-2-yloxybenzene
PubChem CID134400936
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name2-methyl-4-pentan-3-yl-1-propan-2-yloxybenzene
SMILESCCC(CC)c1ccc(OC(C)C)c(C)c1
InChIInChI=1S/C15H24O/c1-6-13(7-2)14-8-9-15(12(5)10-14)16-11(3)4/h8-11,13H,6-7H2,1-5H3
InChIKeyOBUFESUDDIXLPQ-UHFFFAOYSA-N
XLogP4.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-methyl-4-propan-2-yloxyphenyl)pentanoic acid
CID 112516192
1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-amine
CID 82492417
2-(3-methyl-4-propan-2-yloxyphenyl)propan-1-ol
CID 117297903
2,2-dichloro-1-(3-methyl-4-propan-2-yloxyphenyl)ethanol
CID 164892670
2-[1-(3-methyl-4-propan-2-yloxyphenyl)ethoxy]acetic acid
CID 112514675
4-fluoro-2-methyl-1-propan-2-yloxybenzene
CID 58970665
N-ethyl-2-(3-methyl-4-propan-2-yloxyphenyl)ethanamine
CID 98783598
cyclopentyl-(3-methyl-4-propan-2-yloxyphenyl)methanamine
CID 82296047
1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-one
CID 82051543
3-(methylamino)-3-(3-methyl-4-propan-2-yloxyphenyl)propanoic acid
CID 112518832
2-(methylamino)-2-(3-methyl-4-propan-2-yloxyphenyl)acetic acid
CID 82476689
3-(3-methyl-4-propan-2-yloxyphenyl)propan-1-amine
CID 95439952

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-pentan-3-yl-1-propan-2-yloxybenzene?
The IUPAC name of 2-methyl-4-pentan-3-yl-1-propan-2-yloxybenzene (CID 134400936) is 2-methyl-4-pentan-3-yl-1-propan-2-yloxybenzene.
What is the SMILES notation for 2-methyl-4-pentan-3-yl-1-propan-2-yloxybenzene?
The canonical SMILES for 2-methyl-4-pentan-3-yl-1-propan-2-yloxybenzene is CCC(CC)c1ccc(OC(C)C)c(C)c1.
What is the InChIKey of 2-methyl-4-pentan-3-yl-1-propan-2-yloxybenzene?
The InChIKey is OBUFESUDDIXLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-6-13(7-2)14-8-9-15(12(5)10-14)16-11(3)4/h8-11,13H,6-7H2,1-5H3.
What are the key properties of 2-methyl-4-pentan-3-yl-1-propan-2-yloxybenzene?
2-methyl-4-pentan-3-yl-1-propan-2-yloxybenzene has a molecular weight of 220.36 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-pentan-3-yl-1-propan-2-yloxybenzene is sourced from PubChem (CID 134400936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).