methyl 1-[(3-ethyl-4-methoxyphenyl)methyl]cyclobutane-1-carboxylate

C16H22O3 — CID 116929708

IUPACmethyl 1-[(3-ethyl-4-methoxyphenyl)methyl]cyclobutane-1-carboxylate
SMILESCCc1cc(CC2(C(=O)OC)CCC2)ccc1OC
InChIInChI=1S/C16H22O3/c1-4-13-10-12(6-7-14(13)18-2)11-16(8-5-9-16)15(17)19-3/h6-7,10H,4-5,8-9,11H2,1-3H3
InChIKeyQQOQEZAFEUZZCT-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.14
Rot. Bonds5

About methyl 1-[(3-ethyl-4-methoxyphenyl)methyl]cyclobutane-1-carboxylate

methyl 1-[(3-ethyl-4-methoxyphenyl)methyl]cyclobutane-1-carboxylate (PubChem CID 116929708) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is methyl 1-[(3-ethyl-4-methoxyphenyl)methyl]cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(3-ethyl-4-methoxyphenyl)methyl]cyclobutane-1-carboxylate
PubChem CID116929708
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Namemethyl 1-[(3-ethyl-4-methoxyphenyl)methyl]cyclobutane-1-carboxylate
SMILESCCc1cc(CC2(C(=O)OC)CCC2)ccc1OC
InChIInChI=1S/C16H22O3/c1-4-13-10-12(6-7-14(13)18-2)11-16(8-5-9-16)15(17)19-3/h6-7,10H,4-5,8-9,11H2,1-3H3
InChIKeyQQOQEZAFEUZZCT-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentane-1-carboxylic acid
CID 82090827
methyl 1-[(4-propylphenyl)methyl]cyclobutane-1-carboxylate
CID 116929692
1-[(3,4-dimethoxyphenyl)methyl]cyclobutane-1-carboxylic acid
CID 79424763
methyl 1-[(4-bromophenyl)methyl]cyclobutane-1-carboxylate
CID 116929677
1-[[(3-ethyl-4-methoxyphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115242923
1-[1-[(5-ethyl-2-methoxyphenyl)methyl]cyclopropyl]ethanone
CID 95448950
methyl 1-[(4-methylsulfanylphenyl)methyl]cyclobutane-1-carboxylate
CID 116929728
methyl 1-[(4-butan-2-ylphenyl)methyl]cyclobutane-1-carboxylate
CID 116929693
methyl 1-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxylate
CID 116929879
methyl 1-[(2-methoxy-5-propan-2-ylphenyl)methyl]cyclopropane-1-carboxylate
CID 116929798
methyl 1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]cyclobutane-1-carboxylate
CID 116997109
methyl 2-[[3-(aminomethyl)-4-methoxyphenyl]methyl]oxolane-2-carboxylate
CID 59712509

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(3-ethyl-4-methoxyphenyl)methyl]cyclobutane-1-carboxylate?
The IUPAC name of methyl 1-[(3-ethyl-4-methoxyphenyl)methyl]cyclobutane-1-carboxylate (CID 116929708) is methyl 1-[(3-ethyl-4-methoxyphenyl)methyl]cyclobutane-1-carboxylate.
What is the SMILES notation for methyl 1-[(3-ethyl-4-methoxyphenyl)methyl]cyclobutane-1-carboxylate?
The canonical SMILES for methyl 1-[(3-ethyl-4-methoxyphenyl)methyl]cyclobutane-1-carboxylate is CCc1cc(CC2(C(=O)OC)CCC2)ccc1OC.
What is the InChIKey of methyl 1-[(3-ethyl-4-methoxyphenyl)methyl]cyclobutane-1-carboxylate?
The InChIKey is QQOQEZAFEUZZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-4-13-10-12(6-7-14(13)18-2)11-16(8-5-9-16)15(17)19-3/h6-7,10H,4-5,8-9,11H2,1-3H3.
What are the key properties of methyl 1-[(3-ethyl-4-methoxyphenyl)methyl]cyclobutane-1-carboxylate?
methyl 1-[(3-ethyl-4-methoxyphenyl)methyl]cyclobutane-1-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(3-ethyl-4-methoxyphenyl)methyl]cyclobutane-1-carboxylate is sourced from PubChem (CID 116929708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).