1-butan-2-yl-4-methoxybenzene

C11H16O — CID 521247

IUPAC1-butan-2-yl-4-methoxybenzene
SMILESCCC(C)c1ccc(OC)cc1
InChIInChI=1S/C11H16O/c1-4-9(2)10-5-7-11(12-3)8-6-10/h5-9H,4H2,1-3H3
InChIKeySNFIOPFQNROLBN-UHFFFAOYSA-N
MW164.25 g/mol
LogP3.21
Rot. Bonds3

About 1-butan-2-yl-4-methoxybenzene

1-butan-2-yl-4-methoxybenzene (PubChem CID 521247) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-butan-2-yl-4-methoxybenzene.

Molecular Properties

Compound Name1-butan-2-yl-4-methoxybenzene
PubChem CID521247
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name1-butan-2-yl-4-methoxybenzene
SMILESCCC(C)c1ccc(OC)cc1
InChIInChI=1S/C11H16O/c1-4-9(2)10-5-7-11(12-3)8-6-10/h5-9H,4H2,1-3H3
InChIKeySNFIOPFQNROLBN-UHFFFAOYSA-N
XLogP3.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Anethole
CID 637563
Methyleugenol
CID 7127
Estragole
CID 8815
Methoxychlor
CID 4115
5-(4-methoxyphenyl)-3H-1,2-dithiole-3-thione
CID 2194
2-Methoxynaphthalene
CID 7119
4-Methylanisole
CID 7731
Methylisoeugenol
CID 637776
Anisylacetone
CID 61007
p-tert-Butylphenyl glycidyl ether
CID 18360
3-Methoxytoluene
CID 7530
Terameprocol
CID 476861

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-methoxybenzene?
The IUPAC name of 1-butan-2-yl-4-methoxybenzene (CID 521247) is 1-butan-2-yl-4-methoxybenzene.
What is the SMILES notation for 1-butan-2-yl-4-methoxybenzene?
The canonical SMILES for 1-butan-2-yl-4-methoxybenzene is CCC(C)c1ccc(OC)cc1.
What is the InChIKey of 1-butan-2-yl-4-methoxybenzene?
The InChIKey is SNFIOPFQNROLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-4-9(2)10-5-7-11(12-3)8-6-10/h5-9H,4H2,1-3H3.
What are the key properties of 1-butan-2-yl-4-methoxybenzene?
1-butan-2-yl-4-methoxybenzene has a molecular weight of 164.25 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-methoxybenzene is sourced from PubChem (CID 521247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).