tert-butyl (2R)-2-(3-hydroxyphenyl)-2-methylcyclopropane-1-carboxylate

C15H20O3 — CID 142258747

IUPACtert-butyl (2R)-2-(3-hydroxyphenyl)-2-methylcyclopropane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1C[C@@]1(C)c1cccc(O)c1
InChIInChI=1S/C15H20O3/c1-14(2,3)18-13(17)12-9-15(12,4)10-6-5-7-11(16)8-10/h5-8,12,16H,9H2,1-4H3/t12?,15-/m0/s1
InChIKeyYIMIVEXDQKMITO-CVRLYYSRSA-N
MW248.32 g/mol
LogP3.01
Rot. Bonds2

About tert-butyl (2R)-2-(3-hydroxyphenyl)-2-methylcyclopropane-1-carboxylate

tert-butyl (2R)-2-(3-hydroxyphenyl)-2-methylcyclopropane-1-carboxylate (PubChem CID 142258747) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is tert-butyl (2R)-2-(3-hydroxyphenyl)-2-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(3-hydroxyphenyl)-2-methylcyclopropane-1-carboxylate
PubChem CID142258747
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Nametert-butyl (2R)-2-(3-hydroxyphenyl)-2-methylcyclopropane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1C[C@@]1(C)c1cccc(O)c1
InChIInChI=1S/C15H20O3/c1-14(2,3)18-13(17)12-9-15(12,4)10-6-5-7-11(16)8-10/h5-8,12,16H,9H2,1-4H3/t12?,15-/m0/s1
InChIKeyYIMIVEXDQKMITO-CVRLYYSRSA-N
XLogP3.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(3-methylphenyl)cyclopropane-1-carboxylic acid
CID 62389548
tert-butyl N-[[2-(3-hydroxyphenyl)-2-adamantyl]methyl]carbamate
CID 138666603
3-(1-bicyclo[1.1.1]pentanyl)phenol
CID 122235352
tert-butyl 1-methyl-2-(3-methylphenyl)cyclopropane-1-carboxylate
CID 175646816
cis-(1R,2S)-2-methyl-2-phenylcyclopropane-1-carboxylic acid
CID 94252591
cis-(1S,2R)-2-methyl-2-phenylcyclopropane-1-carboxylic acid
CID 94252590
ditert-butyl 4-(3-hydroxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 3402028
tert-butyl 3-(3-bromophenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 68647261
(1R)-2-(3-hydroxyphenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid
CID 105475639
tert-butyl (1R)-2,2-dichlorocyclopropane-1-carboxylate
CID 7003899
tert-butyl N-[(2S)-1-(2-chloro-4-hydroxyphenyl)-3-[[(1R,2R)-2-methyl-2-phenylcyclopropanecarbonyl]amino]propan-2-yl]carbamate
CID 139568983
1-[2-[3-(3-hydroxyphenyl)-2,3-dimethylpiperidin-1-yl]phenyl]ethanone
CID 23618284

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(3-hydroxyphenyl)-2-methylcyclopropane-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-(3-hydroxyphenyl)-2-methylcyclopropane-1-carboxylate (CID 142258747) is tert-butyl (2R)-2-(3-hydroxyphenyl)-2-methylcyclopropane-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-(3-hydroxyphenyl)-2-methylcyclopropane-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-(3-hydroxyphenyl)-2-methylcyclopropane-1-carboxylate is CC(C)(C)OC(=O)C1C[C@@]1(C)c1cccc(O)c1.
What is the InChIKey of tert-butyl (2R)-2-(3-hydroxyphenyl)-2-methylcyclopropane-1-carboxylate?
The InChIKey is YIMIVEXDQKMITO-CVRLYYSRSA-N. The full InChI is InChI=1S/C15H20O3/c1-14(2,3)18-13(17)12-9-15(12,4)10-6-5-7-11(16)8-10/h5-8,12,16H,9H2,1-4H3/t12?,15-/m0/s1.
What are the key properties of tert-butyl (2R)-2-(3-hydroxyphenyl)-2-methylcyclopropane-1-carboxylate?
tert-butyl (2R)-2-(3-hydroxyphenyl)-2-methylcyclopropane-1-carboxylate has a molecular weight of 248.32 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(3-hydroxyphenyl)-2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 142258747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).