ethyl 4-[(4-ethoxyphenoxy)methyl]-4-hydroxycyclohexane-1-carboxylate

C18H26O5 — CID 167976497

IUPACethyl 4-[(4-ethoxyphenoxy)methyl]-4-hydroxycyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(O)(COc2ccc(OCC)cc2)CC1
InChIInChI=1S/C18H26O5/c1-3-21-15-5-7-16(8-6-15)23-13-18(20)11-9-14(10-12-18)17(19)22-4-2/h5-8,14,20H,3-4,9-13H2,1-2H3
InChIKeyARKIJIIJRPMOTK-UHFFFAOYSA-N
MW322.40 g/mol
LogP2.95
Rot. Bonds7

About ethyl 4-[(4-ethoxyphenoxy)methyl]-4-hydroxycyclohexane-1-carboxylate

ethyl 4-[(4-ethoxyphenoxy)methyl]-4-hydroxycyclohexane-1-carboxylate (PubChem CID 167976497) has the molecular formula C18H26O5 and a molecular weight of 322.40 g/mol. Its IUPAC name is ethyl 4-[(4-ethoxyphenoxy)methyl]-4-hydroxycyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-ethoxyphenoxy)methyl]-4-hydroxycyclohexane-1-carboxylate
PubChem CID167976497
Molecular FormulaC18H26O5
Molecular Weight322.40 g/mol
Exact Mass322.18
IUPAC Nameethyl 4-[(4-ethoxyphenoxy)methyl]-4-hydroxycyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(O)(COc2ccc(OCC)cc2)CC1
InChIInChI=1S/C18H26O5/c1-3-21-15-5-7-16(8-6-15)23-13-18(20)11-9-14(10-12-18)17(19)22-4-2/h5-8,14,20H,3-4,9-13H2,1-2H3
InChIKeyARKIJIIJRPMOTK-UHFFFAOYSA-N
XLogP2.95
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[(4-ethoxyphenoxy)methyl]-4-hydroxycyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-hydroxy-4-[(2-oxochromen-7-yl)oxymethyl]cyclohexane-1-carboxylate
CID 122148536
ethyl 4-[(4-chloro-2-methoxyphenoxy)methyl]-4-hydroxycyclohexane-1-carboxylate
CID 167919736
ethyl 4-(4-heptoxyphenyl)-4-hydroxycyclohexane-1-carboxylate
CID 19986715
hexyl 4-(4-ethoxyphenyl)-4-hydroxycyclohexane-1-carboxylate
CID 19986643
4-[(4-acetylphenoxy)methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106497097
ethyl 4-hydroxy-4-[(4-methylphenyl)sulfanylmethyl]cyclohexane-1-carboxylate
CID 106497951
ethyl 1-[2-(4-ethoxyanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate
CID 8931548
ethyl 4-[(cyclopentylamino)methyl]-4-hydroxycyclohexane-1-carboxylate
CID 106498940
ethyl 4-(benzylsulfanylmethyl)-4-hydroxycyclohexane-1-carboxylate
CID 106497946
ethyl 4-[(6-amino-3-pyridinyl)sulfanylmethyl]-4-hydroxycyclohexane-1-carboxylate
CID 106498109
4-[(4-formylphenoxy)methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106497494
[2-(4-ethoxyanilino)-2-oxoethyl] cyclobutanecarboxylate
CID 7717429

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-ethoxyphenoxy)methyl]-4-hydroxycyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[(4-ethoxyphenoxy)methyl]-4-hydroxycyclohexane-1-carboxylate (CID 167976497) is ethyl 4-[(4-ethoxyphenoxy)methyl]-4-hydroxycyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[(4-ethoxyphenoxy)methyl]-4-hydroxycyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[(4-ethoxyphenoxy)methyl]-4-hydroxycyclohexane-1-carboxylate is CCOC(=O)C1CCC(O)(COc2ccc(OCC)cc2)CC1.
What is the InChIKey of ethyl 4-[(4-ethoxyphenoxy)methyl]-4-hydroxycyclohexane-1-carboxylate?
The InChIKey is ARKIJIIJRPMOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O5/c1-3-21-15-5-7-16(8-6-15)23-13-18(20)11-9-14(10-12-18)17(19)22-4-2/h5-8,14,20H,3-4,9-13H2,1-2H3.
What are the key properties of ethyl 4-[(4-ethoxyphenoxy)methyl]-4-hydroxycyclohexane-1-carboxylate?
ethyl 4-[(4-ethoxyphenoxy)methyl]-4-hydroxycyclohexane-1-carboxylate has a molecular weight of 322.40 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-ethoxyphenoxy)methyl]-4-hydroxycyclohexane-1-carboxylate is sourced from PubChem (CID 167976497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).