methyl 1-(3-phenylpropyl)cyclopropane-1-carboxylate

C14H18O2 — CID 86231403

IUPACmethyl 1-(3-phenylpropyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(CCCc2ccccc2)CC1
InChIInChI=1S/C14H18O2/c1-16-13(15)14(10-11-14)9-5-8-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3
InChIKeyPRNXDSDFBVAYNY-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.96
Rot. Bonds5

About methyl 1-(3-phenylpropyl)cyclopropane-1-carboxylate

methyl 1-(3-phenylpropyl)cyclopropane-1-carboxylate (PubChem CID 86231403) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is methyl 1-(3-phenylpropyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-phenylpropyl)cyclopropane-1-carboxylate
PubChem CID86231403
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Namemethyl 1-(3-phenylpropyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(CCCc2ccccc2)CC1
InChIInChI=1S/C14H18O2/c1-16-13(15)14(10-11-14)9-5-8-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3
InChIKeyPRNXDSDFBVAYNY-UHFFFAOYSA-N
XLogP2.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-phenylpropyl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(3-phenylpropyl)cyclopropane-1-carboxylate (CID 86231403) is methyl 1-(3-phenylpropyl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(3-phenylpropyl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(3-phenylpropyl)cyclopropane-1-carboxylate is COC(=O)C1(CCCc2ccccc2)CC1.
What is the InChIKey of methyl 1-(3-phenylpropyl)cyclopropane-1-carboxylate?
The InChIKey is PRNXDSDFBVAYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-16-13(15)14(10-11-14)9-5-8-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3.
What are the key properties of methyl 1-(3-phenylpropyl)cyclopropane-1-carboxylate?
methyl 1-(3-phenylpropyl)cyclopropane-1-carboxylate has a molecular weight of 218.30 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-phenylpropyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 86231403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).