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

C16H20O5 — CID 88671607

IUPAC(4-methoxyphenyl)methyl 4-formyloxycyclohexane-1-carboxylate
SMILESCOc1ccc(COC(=O)C2CCC(OC=O)CC2)cc1
InChIInChI=1S/C16H20O5/c1-19-14-6-2-12(3-7-14)10-20-16(18)13-4-8-15(9-5-13)21-11-17/h2-3,6-7,11,13,15H,4-5,8-10H2,1H3
InChIKeyGEWOEGXZWHKKEK-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.47
Rot. Bonds6

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

(4-methoxyphenyl)methyl 4-formyloxycyclohexane-1-carboxylate (PubChem CID 88671607) has the molecular formula C16H20O5 and a molecular weight of 292.33 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl 4-formyloxycyclohexane-1-carboxylate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl 4-formyloxycyclohexane-1-carboxylate
PubChem CID88671607
Molecular FormulaC16H20O5
Molecular Weight292.33 g/mol
Exact Mass292.13
IUPAC Name(4-methoxyphenyl)methyl 4-formyloxycyclohexane-1-carboxylate
SMILESCOc1ccc(COC(=O)C2CCC(OC=O)CC2)cc1
InChIInChI=1S/C16H20O5/c1-19-14-6-2-12(3-7-14)10-20-16(18)13-4-8-15(9-5-13)21-11-17/h2-3,6-7,11,13,15H,4-5,8-10H2,1H3
InChIKeyGEWOEGXZWHKKEK-UHFFFAOYSA-N
XLogP2.47
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzyl 4-methoxycyclohexane-1-carboxylate
CID 118262723
ethyl 3-[(4-methoxyphenyl)methoxy]cyclobutane-1-carboxylate
CID 118050829
(4-methoxyphenyl)methyl (2S)-4-oxoazetidine-2-carboxylate
CID 70319681
cis-(1R,2S)-2-[(4-methoxyphenyl)methoxycarbonyl]cyclopropane-1-carboxylic acid
CID 166500685
bis[4-(acetyloxymethyl)phenyl] cyclohexane-1,4-dicarboxylate;molecular hydrogen
CID 159835979
(6-methylnaphthalen-2-yl)methyl cyclopropanecarboxylate
CID 54012844
[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl] formate
CID 174365627
(4-methoxyphenyl)methyl 2-oxooxolane-3-carboxylate
CID 141135197
benzyl 3-methoxycyclopentane-1-carboxylate
CID 175265399
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] cyclopropanecarboxylate
CID 2376869
(4-methoxyphenyl)methyl 2-amino-2-cyclopropylacetate
CID 62695261
3-[(4-methoxyphenyl)methoxy]cyclobutane-1-carbaldehyde
CID 118050407

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl 4-formyloxycyclohexane-1-carboxylate?
The IUPAC name of (4-methoxyphenyl)methyl 4-formyloxycyclohexane-1-carboxylate (CID 88671607) is (4-methoxyphenyl)methyl 4-formyloxycyclohexane-1-carboxylate.
What is the SMILES notation for (4-methoxyphenyl)methyl 4-formyloxycyclohexane-1-carboxylate?
The canonical SMILES for (4-methoxyphenyl)methyl 4-formyloxycyclohexane-1-carboxylate is COc1ccc(COC(=O)C2CCC(OC=O)CC2)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl 4-formyloxycyclohexane-1-carboxylate?
The InChIKey is GEWOEGXZWHKKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O5/c1-19-14-6-2-12(3-7-14)10-20-16(18)13-4-8-15(9-5-13)21-11-17/h2-3,6-7,11,13,15H,4-5,8-10H2,1H3.
What are the key properties of (4-methoxyphenyl)methyl 4-formyloxycyclohexane-1-carboxylate?
(4-methoxyphenyl)methyl 4-formyloxycyclohexane-1-carboxylate has a molecular weight of 292.33 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl 4-formyloxycyclohexane-1-carboxylate is sourced from PubChem (CID 88671607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).