methyl 1-[(2-methoxy-5-propan-2-ylphenyl)methyl]cyclopropane-1-carboxylate

C16H22O3 — CID 116929798

IUPACmethyl 1-[(2-methoxy-5-propan-2-ylphenyl)methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(Cc2cc(C(C)C)ccc2OC)CC1
InChIInChI=1S/C16H22O3/c1-11(2)12-5-6-14(18-3)13(9-12)10-16(7-8-16)15(17)19-4/h5-6,9,11H,7-8,10H2,1-4H3
InChIKeyPCIDDQGEMPUJPJ-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.31
Rot. Bonds5

About methyl 1-[(2-methoxy-5-propan-2-ylphenyl)methyl]cyclopropane-1-carboxylate

methyl 1-[(2-methoxy-5-propan-2-ylphenyl)methyl]cyclopropane-1-carboxylate (PubChem CID 116929798) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is methyl 1-[(2-methoxy-5-propan-2-ylphenyl)methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2-methoxy-5-propan-2-ylphenyl)methyl]cyclopropane-1-carboxylate
PubChem CID116929798
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Namemethyl 1-[(2-methoxy-5-propan-2-ylphenyl)methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(Cc2cc(C(C)C)ccc2OC)CC1
InChIInChI=1S/C16H22O3/c1-11(2)12-5-6-14(18-3)13(9-12)10-16(7-8-16)15(17)19-4/h5-6,9,11H,7-8,10H2,1-4H3
InChIKeyPCIDDQGEMPUJPJ-UHFFFAOYSA-N
XLogP3.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxylate
CID 116929879
N-[(2-methoxy-5-propan-2-ylphenyl)methyl]acetamide
CID 110780628
methyl 1-[(3-ethyl-4-methoxyphenyl)methyl]cyclobutane-1-carboxylate
CID 116929708
2-hydroxy-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]acetamide
CID 94687136
methyl 3-(2-methoxy-5-propan-2-ylphenyl)-2,2-dimethylpropanoate
CID 116927536
1-[(2-methoxy-4-propan-2-ylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115242735
N-cyclopentyl-2-(2-methoxy-5-propan-2-ylphenyl)acetamide
CID 110767613
1-[1-[(2,5-dimethoxyphenyl)methyl]cyclopropyl]ethanone
CID 95450370
N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2-sulfanylacetamide
CID 115167149
methyl 5-(2-methoxy-5-propan-2-ylphenyl)-3-oxopentanoate
CID 54410073
6-[(2-methoxy-5-propan-2-ylphenyl)methyl]-6-methyl-1,4-diazepane
CID 98020438
methyl 1-[[3-(aminomethyl)-4-methoxyphenyl]-hydroxymethyl]cyclopropane-1-carboxylate
CID 59712443

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2-methoxy-5-propan-2-ylphenyl)methyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[(2-methoxy-5-propan-2-ylphenyl)methyl]cyclopropane-1-carboxylate (CID 116929798) is methyl 1-[(2-methoxy-5-propan-2-ylphenyl)methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[(2-methoxy-5-propan-2-ylphenyl)methyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[(2-methoxy-5-propan-2-ylphenyl)methyl]cyclopropane-1-carboxylate is COC(=O)C1(Cc2cc(C(C)C)ccc2OC)CC1.
What is the InChIKey of methyl 1-[(2-methoxy-5-propan-2-ylphenyl)methyl]cyclopropane-1-carboxylate?
The InChIKey is PCIDDQGEMPUJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-11(2)12-5-6-14(18-3)13(9-12)10-16(7-8-16)15(17)19-4/h5-6,9,11H,7-8,10H2,1-4H3.
What are the key properties of methyl 1-[(2-methoxy-5-propan-2-ylphenyl)methyl]cyclopropane-1-carboxylate?
methyl 1-[(2-methoxy-5-propan-2-ylphenyl)methyl]cyclopropane-1-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2-methoxy-5-propan-2-ylphenyl)methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 116929798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).