4-butan-2-yl-3-methylphenol

C11H16O — CID 21413615

IUPAC4-butan-2-yl-3-methylphenol
SMILESCCC(C)c1ccc(O)cc1C
InChIInChI=1S/C11H16O/c1-4-8(2)11-6-5-10(12)7-9(11)3/h5-8,12H,4H2,1-3H3
InChIKeyQYRXDTKYFAYJDH-UHFFFAOYSA-N
MW164.25 g/mol
LogP3.21
Rot. Bonds2

About 4-butan-2-yl-3-methylphenol

4-butan-2-yl-3-methylphenol (PubChem CID 21413615) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 4-butan-2-yl-3-methylphenol.

Molecular Properties

Compound Name4-butan-2-yl-3-methylphenol
PubChem CID21413615
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name4-butan-2-yl-3-methylphenol
SMILESCCC(C)c1ccc(O)cc1C
InChIInChI=1S/C11H16O/c1-4-8(2)11-6-5-10(12)7-9(11)3/h5-8,12H,4H2,1-3H3
InChIKeyQYRXDTKYFAYJDH-UHFFFAOYSA-N
XLogP3.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(1-iodopropan-2-yl)-3-methylphenol
CID 122668073
1,4-di(butan-2-yl)-2-methylbenzene
CID 58616694
4-(1-methoxybutan-2-yl)-3-methylphenol
CID 156826769
2,3,6-tri(butan-2-yl)phenol
CID 101292764
3-(4-hydroxy-2-methylphenyl)butyl thiocyanate
CID 112717332
4-[(1S)-1-amino-2-methylpropyl]-3-methylphenol
CID 55254730
methyl 4-butan-2-yl-3-methylbenzoate
CID 164538422
(4-butan-2-yl-3-methylphenyl)-methyliodanuidylmethanone
CID 165142649
4-(1-hydrazinylethyl)-3-methylphenol
CID 53402333
4-[(1R)-1-amino-2-hydroxyethyl]-3-methylphenol
CID 66513632
4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methylphenol
CID 130650619
4-[(1R)-1-aminopentyl]-3-methylphenol
CID 55253511

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-3-methylphenol?
The IUPAC name of 4-butan-2-yl-3-methylphenol (CID 21413615) is 4-butan-2-yl-3-methylphenol.
What is the SMILES notation for 4-butan-2-yl-3-methylphenol?
The canonical SMILES for 4-butan-2-yl-3-methylphenol is CCC(C)c1ccc(O)cc1C.
What is the InChIKey of 4-butan-2-yl-3-methylphenol?
The InChIKey is QYRXDTKYFAYJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-4-8(2)11-6-5-10(12)7-9(11)3/h5-8,12H,4H2,1-3H3.
What are the key properties of 4-butan-2-yl-3-methylphenol?
4-butan-2-yl-3-methylphenol has a molecular weight of 164.25 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-3-methylphenol is sourced from PubChem (CID 21413615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).