tert-butyl 2-[4-(1-methylcyclopropyl)phenyl]acetate

C16H22O2 — CID 118560274

IUPACtert-butyl 2-[4-(1-methylcyclopropyl)phenyl]acetate
SMILESCC(C)(C)OC(=O)Cc1ccc(C2(C)CC2)cc1
InChIInChI=1S/C16H22O2/c1-15(2,3)18-14(17)11-12-5-7-13(8-6-12)16(4)9-10-16/h5-8H,9-11H2,1-4H3
InChIKeyFXDCMTYJOIIWLI-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.62
Rot. Bonds3

About tert-butyl 2-[4-(1-methylcyclopropyl)phenyl]acetate

tert-butyl 2-[4-(1-methylcyclopropyl)phenyl]acetate (PubChem CID 118560274) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is tert-butyl 2-[4-(1-methylcyclopropyl)phenyl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[4-(1-methylcyclopropyl)phenyl]acetate
PubChem CID118560274
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Nametert-butyl 2-[4-(1-methylcyclopropyl)phenyl]acetate
SMILESCC(C)(C)OC(=O)Cc1ccc(C2(C)CC2)cc1
InChIInChI=1S/C16H22O2/c1-15(2,3)18-14(17)11-12-5-7-13(8-6-12)16(4)9-10-16/h5-8H,9-11H2,1-4H3
InChIKeyFXDCMTYJOIIWLI-UHFFFAOYSA-N
XLogP3.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 2-[4-(1-hydroxycyclopropyl)phenyl]acetate
CID 118560566
tert-butyl 3-[4-(1-methylcyclopropyl)phenoxy]propanoate
CID 59636847
tert-butyl 2-[4-(2-oxoethyl)phenyl]acetate
CID 159057903
tert-butyl 2-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]acetate
CID 161289804
tert-butyl 2-[4-(2-amino-2-hydroxyiminoethyl)phenyl]acetate
CID 129497400
tert-butyl 2-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]acetate
CID 121207700
tert-butyl 2-[4-[1-(hydroxyamino)ethyl]phenyl]acetate
CID 118421994
(2S)-2-amino-2-methyl-3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]propanoic acid
CID 10803655
tert-butyl 2-[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]acetate
CID 121207703
tert-butyl 2-(3H-inden-5-yl)acetate
CID 158672073
tert-butyl 2-[4-[bis(2-hydroxyethyl)amino]phenyl]acetate
CID 10756299
tert-butyl 2-[4-[2-[4-[4-[2-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]-2-oxoethyl]anilino]phenyl]acetyl]phenyl]acetate
CID 160654875

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-(1-methylcyclopropyl)phenyl]acetate?
The IUPAC name of tert-butyl 2-[4-(1-methylcyclopropyl)phenyl]acetate (CID 118560274) is tert-butyl 2-[4-(1-methylcyclopropyl)phenyl]acetate.
What is the SMILES notation for tert-butyl 2-[4-(1-methylcyclopropyl)phenyl]acetate?
The canonical SMILES for tert-butyl 2-[4-(1-methylcyclopropyl)phenyl]acetate is CC(C)(C)OC(=O)Cc1ccc(C2(C)CC2)cc1.
What is the InChIKey of tert-butyl 2-[4-(1-methylcyclopropyl)phenyl]acetate?
The InChIKey is FXDCMTYJOIIWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-15(2,3)18-14(17)11-12-5-7-13(8-6-12)16(4)9-10-16/h5-8H,9-11H2,1-4H3.
What are the key properties of tert-butyl 2-[4-(1-methylcyclopropyl)phenyl]acetate?
tert-butyl 2-[4-(1-methylcyclopropyl)phenyl]acetate has a molecular weight of 246.35 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-(1-methylcyclopropyl)phenyl]acetate is sourced from PubChem (CID 118560274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).