methyl 2-hydroxy-2-[2-hydroxy-3,6-di(propan-2-yl)phenyl]acetate

C15H22O4 — CID 117420065

IUPACmethyl 2-hydroxy-2-[2-hydroxy-3,6-di(propan-2-yl)phenyl]acetate
SMILESCOC(=O)C(O)c1c(C(C)C)ccc(C(C)C)c1O
InChIInChI=1S/C15H22O4/c1-8(2)10-6-7-11(9(3)4)13(16)12(10)14(17)15(18)19-5/h6-9,14,16-17H,1-5H3
InChIKeyLJCKNFCKMKEBKD-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.85
Rot. Bonds4

About methyl 2-hydroxy-2-[2-hydroxy-3,6-di(propan-2-yl)phenyl]acetate

methyl 2-hydroxy-2-[2-hydroxy-3,6-di(propan-2-yl)phenyl]acetate (PubChem CID 117420065) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl 2-hydroxy-2-[2-hydroxy-3,6-di(propan-2-yl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-[2-hydroxy-3,6-di(propan-2-yl)phenyl]acetate
PubChem CID117420065
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Namemethyl 2-hydroxy-2-[2-hydroxy-3,6-di(propan-2-yl)phenyl]acetate
SMILESCOC(=O)C(O)c1c(C(C)C)ccc(C(C)C)c1O
InChIInChI=1S/C15H22O4/c1-8(2)10-6-7-11(9(3)4)13(16)12(10)14(17)15(18)19-5/h6-9,14,16-17H,1-5H3
InChIKeyLJCKNFCKMKEBKD-UHFFFAOYSA-N
XLogP2.85
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2,6-difluoro-3-propan-2-ylphenyl)-2-hydroxyacetate
CID 117362062
2-(1-hydroxyethyl)-3,6-di(propan-2-yl)phenol
CID 117318735
methyl 2-[2,3-dihydroxy-4-(1-hydroxy-2-methoxy-2-oxoethyl)naphthalen-1-yl]-2-hydroxyacetate
CID 102213492
methyl 2-(2-hydroxy-3-propan-2-ylphenyl)propanoate
CID 163214418
methyl 2-(5-bromo-2-propan-2-ylphenyl)-2-hydroxyacetate
CID 117463058
methyl 2-hydroxy-2-(3-hydroxy-2,4-dimethylphenyl)acetate
CID 117300134
methyl 2-hydroxy-2-(3-methoxy-4-propan-2-ylphenyl)acetate
CID 117349069
methyl 2-(6-bromo-2-hydroxy-3-methylphenyl)-2-hydroxyacetate
CID 117439457
methyl 2-hydroxy-2-(3-methoxy-2-propan-2-ylphenyl)acetate
CID 117349063
methyl 2-(2,3-difluoro-6-hydroxyphenyl)-2-hydroxyacetate
CID 117310490
methyl (2S)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetate
CID 129367520
methyl 2-hydroxy-2-(2,3,6-trifluorophenyl)acetate
CID 117313680

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-[2-hydroxy-3,6-di(propan-2-yl)phenyl]acetate?
The IUPAC name of methyl 2-hydroxy-2-[2-hydroxy-3,6-di(propan-2-yl)phenyl]acetate (CID 117420065) is methyl 2-hydroxy-2-[2-hydroxy-3,6-di(propan-2-yl)phenyl]acetate.
What is the SMILES notation for methyl 2-hydroxy-2-[2-hydroxy-3,6-di(propan-2-yl)phenyl]acetate?
The canonical SMILES for methyl 2-hydroxy-2-[2-hydroxy-3,6-di(propan-2-yl)phenyl]acetate is COC(=O)C(O)c1c(C(C)C)ccc(C(C)C)c1O.
What is the InChIKey of methyl 2-hydroxy-2-[2-hydroxy-3,6-di(propan-2-yl)phenyl]acetate?
The InChIKey is LJCKNFCKMKEBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-8(2)10-6-7-11(9(3)4)13(16)12(10)14(17)15(18)19-5/h6-9,14,16-17H,1-5H3.
What are the key properties of methyl 2-hydroxy-2-[2-hydroxy-3,6-di(propan-2-yl)phenyl]acetate?
methyl 2-hydroxy-2-[2-hydroxy-3,6-di(propan-2-yl)phenyl]acetate has a molecular weight of 266.34 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-[2-hydroxy-3,6-di(propan-2-yl)phenyl]acetate is sourced from PubChem (CID 117420065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).