(4-propan-2-ylphenyl)methyl 2-methylpropanoate

C14H20O2 — CID 58781802

IUPAC(4-propan-2-ylphenyl)methyl 2-methylpropanoate
SMILESCC(C)C(=O)OCc1ccc(C(C)C)cc1
InChIInChI=1S/C14H20O2/c1-10(2)13-7-5-12(6-8-13)9-16-14(15)11(3)4/h5-8,10-11H,9H2,1-4H3
InChIKeyWVKYKVIWRWJTSY-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.51
Rot. Bonds4

About (4-propan-2-ylphenyl)methyl 2-methylpropanoate

(4-propan-2-ylphenyl)methyl 2-methylpropanoate (PubChem CID 58781802) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (4-propan-2-ylphenyl)methyl 2-methylpropanoate.

Molecular Properties

Compound Name(4-propan-2-ylphenyl)methyl 2-methylpropanoate
PubChem CID58781802
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(4-propan-2-ylphenyl)methyl 2-methylpropanoate
SMILESCC(C)C(=O)OCc1ccc(C(C)C)cc1
InChIInChI=1S/C14H20O2/c1-10(2)13-7-5-12(6-8-13)9-16-14(15)11(3)4/h5-8,10-11H,9H2,1-4H3
InChIKeyWVKYKVIWRWJTSY-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(aminomethyl)phenyl]methyl 2-methylpropanoate
CID 166101467
[4-(aminomethyl)phenyl]methyl 2-methylpropanoate;propanamide
CID 176717453
(4-propan-2-ylphenyl)methyl (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926839
ethane;[4-(ethylamino)phenyl]methyl 2-methylpropanoate
CID 170794624
(4-propan-2-ylphenyl)methyl N-benzylcarbamate
CID 141057085
(4-propan-2-ylphenyl) 2-methylpropanoate
CID 122674718
(4-propan-2-ylphenyl)methyl 4-acetamidobenzoate
CID 7957948
benzyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 118284724
(4-chlorophenyl)methyl (2S)-2-aminopropanoate
CID 54528186
(4-propan-2-ylphenyl)methyl nitrate
CID 14545608
[4-(ethoxycarbonylamino)phenyl]methyl 2-methylpropanoate
CID 162728348
(4-propan-2-ylphenyl)methyl 2-amino-5-chlorobenzoate
CID 60644479

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylphenyl)methyl 2-methylpropanoate?
The IUPAC name of (4-propan-2-ylphenyl)methyl 2-methylpropanoate (CID 58781802) is (4-propan-2-ylphenyl)methyl 2-methylpropanoate.
What is the SMILES notation for (4-propan-2-ylphenyl)methyl 2-methylpropanoate?
The canonical SMILES for (4-propan-2-ylphenyl)methyl 2-methylpropanoate is CC(C)C(=O)OCc1ccc(C(C)C)cc1.
What is the InChIKey of (4-propan-2-ylphenyl)methyl 2-methylpropanoate?
The InChIKey is WVKYKVIWRWJTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-10(2)13-7-5-12(6-8-13)9-16-14(15)11(3)4/h5-8,10-11H,9H2,1-4H3.
What are the key properties of (4-propan-2-ylphenyl)methyl 2-methylpropanoate?
(4-propan-2-ylphenyl)methyl 2-methylpropanoate has a molecular weight of 220.31 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylphenyl)methyl 2-methylpropanoate is sourced from PubChem (CID 58781802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).