methyl 1-[(1R)-1-(4-methoxyphenyl)prop-2-enyl]cyclobutane-1-carboxylate

C16H20O3 — CID 134968785

IUPACmethyl 1-[(1R)-1-(4-methoxyphenyl)prop-2-enyl]cyclobutane-1-carboxylate
SMILESC=C[C@H](c1ccc(OC)cc1)C1(C(=O)OC)CCC1
InChIInChI=1S/C16H20O3/c1-4-14(12-6-8-13(18-2)9-7-12)16(10-5-11-16)15(17)19-3/h4,6-9,14H,1,5,10-11H2,2-3H3/t14-/m1/s1
InChIKeyCYWXPYGVMKACJF-CQSZACIVSA-N
MW260.33 g/mol
LogP3.31
Rot. Bonds5

About methyl 1-[(1R)-1-(4-methoxyphenyl)prop-2-enyl]cyclobutane-1-carboxylate

methyl 1-[(1R)-1-(4-methoxyphenyl)prop-2-enyl]cyclobutane-1-carboxylate (PubChem CID 134968785) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is methyl 1-[(1R)-1-(4-methoxyphenyl)prop-2-enyl]cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(1R)-1-(4-methoxyphenyl)prop-2-enyl]cyclobutane-1-carboxylate
PubChem CID134968785
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Namemethyl 1-[(1R)-1-(4-methoxyphenyl)prop-2-enyl]cyclobutane-1-carboxylate
SMILESC=C[C@H](c1ccc(OC)cc1)C1(C(=O)OC)CCC1
InChIInChI=1S/C16H20O3/c1-4-14(12-6-8-13(18-2)9-7-12)16(10-5-11-16)15(17)19-3/h4,6-9,14H,1,5,10-11H2,2-3H3/t14-/m1/s1
InChIKeyCYWXPYGVMKACJF-CQSZACIVSA-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 ≤ 500260.33
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-methoxyphenyl)-(methylamino)methyl]cyclobutane-1-carboxylic acid
CID 116958932
methyl 1-[dimethylamino-(4-methoxyphenyl)methyl]cyclopropane-1-carboxylate
CID 116912762
2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)acetaldehyde
CID 139595164
dimethyl 2-[(1S)-1-(4-methoxyphenyl)prop-2-enyl]-2-methylpropanedioate
CID 11808469
methyl 1-[[2-chloro-2-(4-methoxyphenyl)acetyl]amino]cyclopentane-1-carboxylate
CID 22327445
methyl 1-(4-methoxyanilino)cyclohexane-1-carboxylate
CID 54890159
methyl 1-[(4-chlorophenyl)-(methylamino)methyl]cyclobutane-1-carboxylate
CID 116959110
(2S,3R)-3-cyclopropyl-2-(4-methoxyphenyl)pent-4-enoic acid
CID 101184774
methyl (2S,3aS,6aR)-6a-hydroxy-2-(4-methoxyphenyl)-3-methylidene-5,6-dihydro-4H-cyclopenta[b]furan-3a-carboxylate
CID 102097032
dimethyl 1,3-bis(4-methoxyphenyl)-4,6-dihydrocyclopenta[c]furan-5,5-dicarboxylate
CID 132990625
(3R)-3-ethyl-2-(4-methoxyphenyl)pent-4-enoic acid
CID 142815770
methyl 1-(difluoromethyl)cyclopentane-1-carboxylate
CID 130648445

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(1R)-1-(4-methoxyphenyl)prop-2-enyl]cyclobutane-1-carboxylate?
The IUPAC name of methyl 1-[(1R)-1-(4-methoxyphenyl)prop-2-enyl]cyclobutane-1-carboxylate (CID 134968785) is methyl 1-[(1R)-1-(4-methoxyphenyl)prop-2-enyl]cyclobutane-1-carboxylate.
What is the SMILES notation for methyl 1-[(1R)-1-(4-methoxyphenyl)prop-2-enyl]cyclobutane-1-carboxylate?
The canonical SMILES for methyl 1-[(1R)-1-(4-methoxyphenyl)prop-2-enyl]cyclobutane-1-carboxylate is C=C[C@H](c1ccc(OC)cc1)C1(C(=O)OC)CCC1.
What is the InChIKey of methyl 1-[(1R)-1-(4-methoxyphenyl)prop-2-enyl]cyclobutane-1-carboxylate?
The InChIKey is CYWXPYGVMKACJF-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20O3/c1-4-14(12-6-8-13(18-2)9-7-12)16(10-5-11-16)15(17)19-3/h4,6-9,14H,1,5,10-11H2,2-3H3/t14-/m1/s1.
What are the key properties of methyl 1-[(1R)-1-(4-methoxyphenyl)prop-2-enyl]cyclobutane-1-carboxylate?
methyl 1-[(1R)-1-(4-methoxyphenyl)prop-2-enyl]cyclobutane-1-carboxylate has a molecular weight of 260.33 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-[(1R)-1-(4-methoxyphenyl)prop-2-enyl]cyclobutane-1-carboxylate is sourced from PubChem (CID 134968785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).