ethyl 4-(2,4-dihydroxyphenyl)-1-hydroxycyclohexane-1-carboxylate

C15H20O5 — CID 22337820

IUPACethyl 4-(2,4-dihydroxyphenyl)-1-hydroxycyclohexane-1-carboxylate
SMILESCCOC(=O)C1(O)CCC(c2ccc(O)cc2O)CC1
InChIInChI=1S/C15H20O5/c1-2-20-14(18)15(19)7-5-10(6-8-15)12-4-3-11(16)9-13(12)17/h3-4,9-10,16-17,19H,2,5-8H2,1H3
InChIKeyYVUCHMRTUSTHSB-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.05
Rot. Bonds3

About ethyl 4-(2,4-dihydroxyphenyl)-1-hydroxycyclohexane-1-carboxylate

ethyl 4-(2,4-dihydroxyphenyl)-1-hydroxycyclohexane-1-carboxylate (PubChem CID 22337820) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is ethyl 4-(2,4-dihydroxyphenyl)-1-hydroxycyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2,4-dihydroxyphenyl)-1-hydroxycyclohexane-1-carboxylate
PubChem CID22337820
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Nameethyl 4-(2,4-dihydroxyphenyl)-1-hydroxycyclohexane-1-carboxylate
SMILESCCOC(=O)C1(O)CCC(c2ccc(O)cc2O)CC1
InChIInChI=1S/C15H20O5/c1-2-20-14(18)15(19)7-5-10(6-8-15)12-4-3-11(16)9-13(12)17/h3-4,9-10,16-17,19H,2,5-8H2,1H3
InChIKeyYVUCHMRTUSTHSB-UHFFFAOYSA-N
XLogP2.05
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,4-dihydroxyphenyl)-1-hydroxycyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-(2,4-dihydroxyphenyl)-1-hydroxycyclohexane-1-carboxylate (CID 22337820) is ethyl 4-(2,4-dihydroxyphenyl)-1-hydroxycyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-(2,4-dihydroxyphenyl)-1-hydroxycyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-(2,4-dihydroxyphenyl)-1-hydroxycyclohexane-1-carboxylate is CCOC(=O)C1(O)CCC(c2ccc(O)cc2O)CC1.
What is the InChIKey of ethyl 4-(2,4-dihydroxyphenyl)-1-hydroxycyclohexane-1-carboxylate?
The InChIKey is YVUCHMRTUSTHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O5/c1-2-20-14(18)15(19)7-5-10(6-8-15)12-4-3-11(16)9-13(12)17/h3-4,9-10,16-17,19H,2,5-8H2,1H3.
What are the key properties of ethyl 4-(2,4-dihydroxyphenyl)-1-hydroxycyclohexane-1-carboxylate?
ethyl 4-(2,4-dihydroxyphenyl)-1-hydroxycyclohexane-1-carboxylate has a molecular weight of 280.32 g/mol, XLogP of 2.05, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,4-dihydroxyphenyl)-1-hydroxycyclohexane-1-carboxylate is sourced from PubChem (CID 22337820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).