[3-(2-methylpropyl)phenyl] 1-methylcyclopropane-1-carboxylate

C15H20O2 — CID 90871725

IUPAC[3-(2-methylpropyl)phenyl] 1-methylcyclopropane-1-carboxylate
SMILESCC(C)Cc1cccc(OC(=O)C2(C)CC2)c1
InChIInChI=1S/C15H20O2/c1-11(2)9-12-5-4-6-13(10-12)17-14(16)15(3)7-8-15/h4-6,10-11H,7-9H2,1-3H3
InChIKeyBBAFHKTTYQLBRR-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.59
Rot. Bonds4

About [3-(2-methylpropyl)phenyl] 1-methylcyclopropane-1-carboxylate

[3-(2-methylpropyl)phenyl] 1-methylcyclopropane-1-carboxylate (PubChem CID 90871725) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is [3-(2-methylpropyl)phenyl] 1-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name[3-(2-methylpropyl)phenyl] 1-methylcyclopropane-1-carboxylate
PubChem CID90871725
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name[3-(2-methylpropyl)phenyl] 1-methylcyclopropane-1-carboxylate
SMILESCC(C)Cc1cccc(OC(=O)C2(C)CC2)c1
InChIInChI=1S/C15H20O2/c1-11(2)9-12-5-4-6-13(10-12)17-14(16)15(3)7-8-15/h4-6,10-11H,7-9H2,1-3H3
InChIKeyBBAFHKTTYQLBRR-UHFFFAOYSA-N
XLogP3.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(3-bromophenyl) 1-methylcyclopropane-1-carboxylate
CID 67255630
(3-ethylphenyl) 3-methylbutanoate
CID 91711230
1-(2-methoxyethoxy)-3-(2-methylpropyl)benzene
CID 58531244
[3-(2-methylpropyl)phenyl] 5-acetamidopentanoate
CID 90980403
1-(2,2-dideuterio-3-methylbutoxy)-3-(2-methylpropyl)benzene
CID 176775292
(2S)-2-[3-(2-methylpropyl)phenoxy]-2-[(3R)-pyrrolidin-3-yl]acetic acid
CID 176774959
(1-hydroxycycloheptyl)-[3-(2-methylpropyl)phenyl]methanone
CID 103450378
2-(3-propan-2-yloxyphenyl)acetyl chloride
CID 18333440
3-methyl-N-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 86780162
3-(2-methylpropyl)benzamide
CID 23130390
methyl (2S)-2-amino-3-(3-propan-2-yloxyphenyl)propanoate
CID 171238413
[3-(2-amino-3-hydroxypropyl)phenyl] acetate
CID 170892004

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpropyl)phenyl] 1-methylcyclopropane-1-carboxylate?
The IUPAC name of [3-(2-methylpropyl)phenyl] 1-methylcyclopropane-1-carboxylate (CID 90871725) is [3-(2-methylpropyl)phenyl] 1-methylcyclopropane-1-carboxylate.
What is the SMILES notation for [3-(2-methylpropyl)phenyl] 1-methylcyclopropane-1-carboxylate?
The canonical SMILES for [3-(2-methylpropyl)phenyl] 1-methylcyclopropane-1-carboxylate is CC(C)Cc1cccc(OC(=O)C2(C)CC2)c1.
What is the InChIKey of [3-(2-methylpropyl)phenyl] 1-methylcyclopropane-1-carboxylate?
The InChIKey is BBAFHKTTYQLBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-11(2)9-12-5-4-6-13(10-12)17-14(16)15(3)7-8-15/h4-6,10-11H,7-9H2,1-3H3.
What are the key properties of [3-(2-methylpropyl)phenyl] 1-methylcyclopropane-1-carboxylate?
[3-(2-methylpropyl)phenyl] 1-methylcyclopropane-1-carboxylate has a molecular weight of 232.32 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpropyl)phenyl] 1-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 90871725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).