(4-methoxyphenyl)methyl 1-formylcyclopentane-1-carboxylate

C15H18O4 — CID 18404452

IUPAC(4-methoxyphenyl)methyl 1-formylcyclopentane-1-carboxylate
SMILESCOc1ccc(COC(=O)C2(C=O)CCCC2)cc1
InChIInChI=1S/C15H18O4/c1-18-13-6-4-12(5-7-13)10-19-14(17)15(11-16)8-2-3-9-15/h4-7,11H,2-3,8-10H2,1H3
InChIKeyXLFWLXRFVAAQTK-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.50
Rot. Bonds5

About (4-methoxyphenyl)methyl 1-formylcyclopentane-1-carboxylate

(4-methoxyphenyl)methyl 1-formylcyclopentane-1-carboxylate (PubChem CID 18404452) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl 1-formylcyclopentane-1-carboxylate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl 1-formylcyclopentane-1-carboxylate
PubChem CID18404452
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name(4-methoxyphenyl)methyl 1-formylcyclopentane-1-carboxylate
SMILESCOc1ccc(COC(=O)C2(C=O)CCCC2)cc1
InChIInChI=1S/C15H18O4/c1-18-13-6-4-12(5-7-13)10-19-14(17)15(11-16)8-2-3-9-15/h4-7,11H,2-3,8-10H2,1H3
InChIKeyXLFWLXRFVAAQTK-UHFFFAOYSA-N
XLogP2.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(4-methoxyphenyl)methyl 1-aminocycloheptane-1-carboxylate
CID 61304508
benzyl 1-formylcyclohexane-1-carboxylate
CID 18623884
(4-methoxyphenyl)methyl 2-(1-aminocyclohexyl)acetate
CID 64701200
(4-methoxyphenyl)methyl 4-aminooxane-4-carboxylate
CID 115292702
magnesium;formamidomethyl 1-[(4-methoxyphenyl)methoxy]cyclohexane-1-carboxylate;hydride
CID 173191029
(4-methoxyphenyl)methoxymethanethioic S-acid
CID 139442271
(4-methoxyphenyl)methyl silylformate
CID 123289214
(4-methoxyphenyl)methyl 2-[1-(iodomethyl)cyclopropyl]acetate
CID 159308487
[4-[(1-hydroxycyclohexanecarbonyl)oxymethyl]phenyl]methyl 1-hydroxycyclohexane-1-carboxylate
CID 46574800
1-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 69475295
(4-methoxyphenyl)methyl 3-(4-formylphenyl)prop-2-enoate
CID 86758303
(4-methoxyphenyl)methyl 2-bromoacetate
CID 10587465

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl 1-formylcyclopentane-1-carboxylate?
The IUPAC name of (4-methoxyphenyl)methyl 1-formylcyclopentane-1-carboxylate (CID 18404452) is (4-methoxyphenyl)methyl 1-formylcyclopentane-1-carboxylate.
What is the SMILES notation for (4-methoxyphenyl)methyl 1-formylcyclopentane-1-carboxylate?
The canonical SMILES for (4-methoxyphenyl)methyl 1-formylcyclopentane-1-carboxylate is COc1ccc(COC(=O)C2(C=O)CCCC2)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl 1-formylcyclopentane-1-carboxylate?
The InChIKey is XLFWLXRFVAAQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-18-13-6-4-12(5-7-13)10-19-14(17)15(11-16)8-2-3-9-15/h4-7,11H,2-3,8-10H2,1H3.
What are the key properties of (4-methoxyphenyl)methyl 1-formylcyclopentane-1-carboxylate?
(4-methoxyphenyl)methyl 1-formylcyclopentane-1-carboxylate has a molecular weight of 262.31 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl 1-formylcyclopentane-1-carboxylate is sourced from PubChem (CID 18404452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).