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

C15H20O3 — CID 118560566

IUPACtert-butyl 2-[4-(1-hydroxycyclopropyl)phenyl]acetate
SMILESCC(C)(C)OC(=O)Cc1ccc(C2(O)CC2)cc1
InChIInChI=1S/C15H20O3/c1-14(2,3)18-13(16)10-11-4-6-12(7-5-11)15(17)8-9-15/h4-7,17H,8-10H2,1-3H3
InChIKeyGAUISQKBGUDVSI-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.55
Rot. Bonds3

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

tert-butyl 2-[4-(1-hydroxycyclopropyl)phenyl]acetate (PubChem CID 118560566) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is tert-butyl 2-[4-(1-hydroxycyclopropyl)phenyl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[4-(1-hydroxycyclopropyl)phenyl]acetate
PubChem CID118560566
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Nametert-butyl 2-[4-(1-hydroxycyclopropyl)phenyl]acetate
SMILESCC(C)(C)OC(=O)Cc1ccc(C2(O)CC2)cc1
InChIInChI=1S/C15H20O3/c1-14(2,3)18-13(16)10-11-4-6-12(7-5-11)15(17)8-9-15/h4-7,17H,8-10H2,1-3H3
InChIKeyGAUISQKBGUDVSI-UHFFFAOYSA-N
XLogP2.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-[4-(1-methylcyclopropyl)phenyl]acetate
CID 118560274
tert-butyl 2-[4-(2-oxoethyl)phenyl]acetate
CID 159057903
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-[2-(cyclopropylamino)-2-oxoethyl]phenyl]acetate
CID 161289804
1-[4-(2-hydroxy-2-methylpropyl)phenyl]cyclopropan-1-ol
CID 117117351
(2S)-2-amino-2-methyl-3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]propanoic acid
CID 10803655
tert-butyl 2-[4-[1-(hydroxyamino)ethyl]phenyl]acetate
CID 118421994
tert-butyl 2-[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]acetate
CID 121207703
tert-butyl 4-[4-[(4-fluorophenyl)methyl]phenyl]-4-hydroxypiperidine-1-carboxylate
CID 22599961
1-[4-(2-amino-2-methylpropyl)phenyl]cyclopropan-1-ol
CID 117111968
tert-butyl 2-(2-tert-butyl-3,4-dihydro-1H-isoquinolin-7-yl)acetate
CID 140721674

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-(1-hydroxycyclopropyl)phenyl]acetate?
The IUPAC name of tert-butyl 2-[4-(1-hydroxycyclopropyl)phenyl]acetate (CID 118560566) is tert-butyl 2-[4-(1-hydroxycyclopropyl)phenyl]acetate.
What is the SMILES notation for tert-butyl 2-[4-(1-hydroxycyclopropyl)phenyl]acetate?
The canonical SMILES for tert-butyl 2-[4-(1-hydroxycyclopropyl)phenyl]acetate is CC(C)(C)OC(=O)Cc1ccc(C2(O)CC2)cc1.
What is the InChIKey of tert-butyl 2-[4-(1-hydroxycyclopropyl)phenyl]acetate?
The InChIKey is GAUISQKBGUDVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-14(2,3)18-13(16)10-11-4-6-12(7-5-11)15(17)8-9-15/h4-7,17H,8-10H2,1-3H3.
What are the key properties of tert-butyl 2-[4-(1-hydroxycyclopropyl)phenyl]acetate?
tert-butyl 2-[4-(1-hydroxycyclopropyl)phenyl]acetate has a molecular weight of 248.32 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-(1-hydroxycyclopropyl)phenyl]acetate is sourced from PubChem (CID 118560566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).