tert-butyl 2-[2-(hydroxymethyl)phenyl]cyclopropane-1-carboxylate

C15H20O3 — CID 135374954

IUPACtert-butyl 2-[2-(hydroxymethyl)phenyl]cyclopropane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1CC1c1ccccc1CO
InChIInChI=1S/C15H20O3/c1-15(2,3)18-14(17)13-8-12(13)11-7-5-4-6-10(11)9-16/h4-7,12-13,16H,8-9H2,1-3H3
InChIKeyPSSJDPFYAGHGIL-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.62
Rot. Bonds3

About tert-butyl 2-[2-(hydroxymethyl)phenyl]cyclopropane-1-carboxylate

tert-butyl 2-[2-(hydroxymethyl)phenyl]cyclopropane-1-carboxylate (PubChem CID 135374954) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is tert-butyl 2-[2-(hydroxymethyl)phenyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-(hydroxymethyl)phenyl]cyclopropane-1-carboxylate
PubChem CID135374954
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Nametert-butyl 2-[2-(hydroxymethyl)phenyl]cyclopropane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1CC1c1ccccc1CO
InChIInChI=1S/C15H20O3/c1-15(2,3)18-14(17)13-8-12(13)11-7-5-4-6-10(11)9-16/h4-7,12-13,16H,8-9H2,1-3H3
InChIKeyPSSJDPFYAGHGIL-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

butyl 2-[2-(hydroxymethyl)phenyl]cyclopropane-1-carboxylate
CID 135349562
tert-butyl (1R,2R,3S)-3-methyl-2-naphthalen-1-ylcyclobutane-1-carboxylate
CID 102109474
tert-butyl 2-(1,3-dimethylpyrazol-4-yl)cyclopropane-1-carboxylate
CID 175483286
tert-butyl N-[2-(hydroxymethyl)phenyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 121232071
tert-butyl (1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 70794725
trans-tert-butyl (1S,2S)-2-benzoylcyclopropane-1-carboxylate
CID 12996560
tert-butyl 2-[2-(hydroxymethyl)phenyl]azepane-1-carboxylate
CID 170947825
cis-tert-butyl (1R,2S)-2-(3-chlorophenyl)cyclopropane-1-carboxylate
CID 102520338
cis-tert-butyl (1S,2R)-2-(1H-pyrrol-3-yl)cyclopropane-1-carboxylate
CID 140997237
tert-butyl (1S,1aR,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylate
CID 101004961
tert-butyl (1R,1aR,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylate
CID 101004965
cis-tert-butyl (1S,2S)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 163289434

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(hydroxymethyl)phenyl]cyclopropane-1-carboxylate?
The IUPAC name of tert-butyl 2-[2-(hydroxymethyl)phenyl]cyclopropane-1-carboxylate (CID 135374954) is tert-butyl 2-[2-(hydroxymethyl)phenyl]cyclopropane-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-(hydroxymethyl)phenyl]cyclopropane-1-carboxylate?
The canonical SMILES for tert-butyl 2-[2-(hydroxymethyl)phenyl]cyclopropane-1-carboxylate is CC(C)(C)OC(=O)C1CC1c1ccccc1CO.
What is the InChIKey of tert-butyl 2-[2-(hydroxymethyl)phenyl]cyclopropane-1-carboxylate?
The InChIKey is PSSJDPFYAGHGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-15(2,3)18-14(17)13-8-12(13)11-7-5-4-6-10(11)9-16/h4-7,12-13,16H,8-9H2,1-3H3.
What are the key properties of tert-butyl 2-[2-(hydroxymethyl)phenyl]cyclopropane-1-carboxylate?
tert-butyl 2-[2-(hydroxymethyl)phenyl]cyclopropane-1-carboxylate has a molecular weight of 248.32 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(hydroxymethyl)phenyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 135374954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).