methyl 2-[4-(2,4-dihydroxyphenyl)cyclohexyl]acetate

C15H20O4 — CID 22337788

IUPACmethyl 2-[4-(2,4-dihydroxyphenyl)cyclohexyl]acetate
SMILESCOC(=O)CC1CCC(c2ccc(O)cc2O)CC1
InChIInChI=1S/C15H20O4/c1-19-15(18)8-10-2-4-11(5-3-10)13-7-6-12(16)9-14(13)17/h6-7,9-11,16-17H,2-5,8H2,1H3
InChIKeyNEOXHHHZGLIRDC-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.93
Rot. Bonds3

About methyl 2-[4-(2,4-dihydroxyphenyl)cyclohexyl]acetate

methyl 2-[4-(2,4-dihydroxyphenyl)cyclohexyl]acetate (PubChem CID 22337788) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 2-[4-(2,4-dihydroxyphenyl)cyclohexyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(2,4-dihydroxyphenyl)cyclohexyl]acetate
PubChem CID22337788
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Namemethyl 2-[4-(2,4-dihydroxyphenyl)cyclohexyl]acetate
SMILESCOC(=O)CC1CCC(c2ccc(O)cc2O)CC1
InChIInChI=1S/C15H20O4/c1-19-15(18)8-10-2-4-11(5-3-10)13-7-6-12(16)9-14(13)17/h6-7,9-11,16-17H,2-5,8H2,1H3
InChIKeyNEOXHHHZGLIRDC-UHFFFAOYSA-N
XLogP2.93
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2,4-dihydroxyphenyl)cyclohexyl]acetate?
The IUPAC name of methyl 2-[4-(2,4-dihydroxyphenyl)cyclohexyl]acetate (CID 22337788) is methyl 2-[4-(2,4-dihydroxyphenyl)cyclohexyl]acetate.
What is the SMILES notation for methyl 2-[4-(2,4-dihydroxyphenyl)cyclohexyl]acetate?
The canonical SMILES for methyl 2-[4-(2,4-dihydroxyphenyl)cyclohexyl]acetate is COC(=O)CC1CCC(c2ccc(O)cc2O)CC1.
What is the InChIKey of methyl 2-[4-(2,4-dihydroxyphenyl)cyclohexyl]acetate?
The InChIKey is NEOXHHHZGLIRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-19-15(18)8-10-2-4-11(5-3-10)13-7-6-12(16)9-14(13)17/h6-7,9-11,16-17H,2-5,8H2,1H3.
What are the key properties of methyl 2-[4-(2,4-dihydroxyphenyl)cyclohexyl]acetate?
methyl 2-[4-(2,4-dihydroxyphenyl)cyclohexyl]acetate has a molecular weight of 264.32 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2,4-dihydroxyphenyl)cyclohexyl]acetate is sourced from PubChem (CID 22337788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).