(4-butan-2-ylphenyl) 2-methylpropanoate

C14H20O2 — CID 155645541

IUPAC(4-butan-2-ylphenyl) 2-methylpropanoate
SMILESCCC(C)c1ccc(OC(=O)C(C)C)cc1
InChIInChI=1S/C14H20O2/c1-5-11(4)12-6-8-13(9-7-12)16-14(15)10(2)3/h6-11H,5H2,1-4H3
InChIKeyAWAUBNXDIYTAOG-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.76
Rot. Bonds4

About (4-butan-2-ylphenyl) 2-methylpropanoate

(4-butan-2-ylphenyl) 2-methylpropanoate (PubChem CID 155645541) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (4-butan-2-ylphenyl) 2-methylpropanoate.

Molecular Properties

Compound Name(4-butan-2-ylphenyl) 2-methylpropanoate
PubChem CID155645541
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(4-butan-2-ylphenyl) 2-methylpropanoate
SMILESCCC(C)c1ccc(OC(=O)C(C)C)cc1
InChIInChI=1S/C14H20O2/c1-5-11(4)12-6-8-13(9-7-12)16-14(15)10(2)3/h6-11H,5H2,1-4H3
InChIKeyAWAUBNXDIYTAOG-UHFFFAOYSA-N
XLogP3.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-propan-2-ylphenyl) 2-methylpropanoate
CID 122674718
4-O-(4-butan-2-ylphenyl) 1-O-methyl (E)-but-2-enedioate
CID 23528175
[4-(4-propan-2-ylphenyl)phenyl] 2-methylpropanoate
CID 89484565
[4-[(2R)-butan-2-yl]phenyl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8923013
(4-propanoylphenyl) 2-methylpropanoate
CID 19170731
1-(4-butan-2-ylphenoxy)propan-2-one
CID 59101826
3-(4-butan-2-ylphenoxy)-2-methylpropanamide
CID 107669112
4-butan-2-ylphenol;(4-hydroxyphenyl) 2,2-dimethylbutanoate
CID 162034516
(4-aminophenyl) 2-methylpropanoate;hydrochloride
CID 174366284
(4-butan-2-ylphenyl) adamantane-1-carboxylate
CID 89342175
2-amino-3-(4-butan-2-ylphenoxy)propanamide
CID 107663516
(4-butan-2-ylphenyl) 2-methoxybenzoate
CID 23011207

Frequently Asked Questions

What is the IUPAC name of (4-butan-2-ylphenyl) 2-methylpropanoate?
The IUPAC name of (4-butan-2-ylphenyl) 2-methylpropanoate (CID 155645541) is (4-butan-2-ylphenyl) 2-methylpropanoate.
What is the SMILES notation for (4-butan-2-ylphenyl) 2-methylpropanoate?
The canonical SMILES for (4-butan-2-ylphenyl) 2-methylpropanoate is CCC(C)c1ccc(OC(=O)C(C)C)cc1.
What is the InChIKey of (4-butan-2-ylphenyl) 2-methylpropanoate?
The InChIKey is AWAUBNXDIYTAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-5-11(4)12-6-8-13(9-7-12)16-14(15)10(2)3/h6-11H,5H2,1-4H3.
What are the key properties of (4-butan-2-ylphenyl) 2-methylpropanoate?
(4-butan-2-ylphenyl) 2-methylpropanoate has a molecular weight of 220.31 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butan-2-ylphenyl) 2-methylpropanoate is sourced from PubChem (CID 155645541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).