(4-formyl-2-methoxyphenyl) cyclohexanecarboxylate

C15H18O4 — CID 4504529

IUPAC(4-formyl-2-methoxyphenyl) cyclohexanecarboxylate
SMILESCOc1cc(C=O)ccc1OC(=O)C1CCCCC1
InChIInChI=1S/C15H18O4/c1-18-14-9-11(10-16)7-8-13(14)19-15(17)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3
InChIKeyYCEBTYIAJWTZQH-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.99
Rot. Bonds4

About (4-formyl-2-methoxyphenyl) cyclohexanecarboxylate

(4-formyl-2-methoxyphenyl) cyclohexanecarboxylate (PubChem CID 4504529) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is (4-formyl-2-methoxyphenyl) cyclohexanecarboxylate.

Molecular Properties

Compound Name(4-formyl-2-methoxyphenyl) cyclohexanecarboxylate
PubChem CID4504529
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name(4-formyl-2-methoxyphenyl) cyclohexanecarboxylate
SMILESCOc1cc(C=O)ccc1OC(=O)C1CCCCC1
InChIInChI=1S/C15H18O4/c1-18-14-9-11(10-16)7-8-13(14)19-15(17)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3
InChIKeyYCEBTYIAJWTZQH-UHFFFAOYSA-N
XLogP2.99
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[(Z)-2-cyano-3-methoxy-3-oxoprop-1-enyl]-2-methoxyphenyl] cyclohexanecarboxylate
CID 733849
[2-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl] cyclohexanecarboxylate
CID 169383112
[4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl] cyclobutanecarboxylate
CID 137405363
[4-[(Z)-(cyclopropanecarbonylhydrazinylidene)methyl]-2-methoxyphenyl] cyclopropanecarboxylate
CID 9234824
[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl] cyclobutanecarboxylate
CID 146026444
(4-formyl-2-methoxyphenyl) 2-methylpropanoate
CID 539829
3-(2-hydroxycyclohexyl)oxy-4-methoxybenzaldehyde
CID 60883976
[4-[(E)-2-cyano-2-(2-methoxyphenyl)ethenyl]-2-methoxyphenyl] cyclopropanecarboxylate
CID 39114369
[2-methoxy-4-[(Z)-[[(1R,2R)-2-methylcyclohexyl]carbamothioylhydrazinylidene]methyl]phenyl] cyclopropanecarboxylate
CID 9122345
(4-formyl-2-methoxyphenyl) (2S)-2-methoxypropanoate
CID 135271655
4-[(Z)-2-cyclohexyl-2-fluoroethenyl]-1,2-dimethoxybenzene
CID 172766932
[4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]-2-methoxyphenyl] acetate
CID 5419986

Frequently Asked Questions

What is the IUPAC name of (4-formyl-2-methoxyphenyl) cyclohexanecarboxylate?
The IUPAC name of (4-formyl-2-methoxyphenyl) cyclohexanecarboxylate (CID 4504529) is (4-formyl-2-methoxyphenyl) cyclohexanecarboxylate.
What is the SMILES notation for (4-formyl-2-methoxyphenyl) cyclohexanecarboxylate?
The canonical SMILES for (4-formyl-2-methoxyphenyl) cyclohexanecarboxylate is COc1cc(C=O)ccc1OC(=O)C1CCCCC1.
What is the InChIKey of (4-formyl-2-methoxyphenyl) cyclohexanecarboxylate?
The InChIKey is YCEBTYIAJWTZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-18-14-9-11(10-16)7-8-13(14)19-15(17)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3.
What are the key properties of (4-formyl-2-methoxyphenyl) cyclohexanecarboxylate?
(4-formyl-2-methoxyphenyl) cyclohexanecarboxylate has a molecular weight of 262.31 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-formyl-2-methoxyphenyl) cyclohexanecarboxylate is sourced from PubChem (CID 4504529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).