(3,5-dihydroxyphenyl) (2R)-2-methylbutanoate

C11H14O4 — CID 162869793

IUPAC(3,5-dihydroxyphenyl) (2R)-2-methylbutanoate
SMILESCC[C@@H](C)C(=O)Oc1cc(O)cc(O)c1
InChIInChI=1S/C11H14O4/c1-3-7(2)11(14)15-10-5-8(12)4-9(13)6-10/h4-7,12-13H,3H2,1-2H3/t7-/m1/s1
InChIKeyIDVZWPPENPYDCH-SSDOTTSWSA-N
MW210.23 g/mol
LogP2.05
Rot. Bonds3

About (3,5-dihydroxyphenyl) (2R)-2-methylbutanoate

(3,5-dihydroxyphenyl) (2R)-2-methylbutanoate (PubChem CID 162869793) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is (3,5-dihydroxyphenyl) (2R)-2-methylbutanoate.

Molecular Properties

Compound Name(3,5-dihydroxyphenyl) (2R)-2-methylbutanoate
PubChem CID162869793
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name(3,5-dihydroxyphenyl) (2R)-2-methylbutanoate
SMILESCC[C@@H](C)C(=O)Oc1cc(O)cc(O)c1
InChIInChI=1S/C11H14O4/c1-3-7(2)11(14)15-10-5-8(12)4-9(13)6-10/h4-7,12-13H,3H2,1-2H3/t7-/m1/s1
InChIKeyIDVZWPPENPYDCH-SSDOTTSWSA-N
XLogP2.05
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3,5-dihydroxyphenyl) 2-methylbutanoate
CID 162869792
(4-hydroxyphenyl) 2-methylbutanoate
CID 14573373
(3,5-difluoro-4-hydroxyphenyl) 2-methylbutanoate
CID 174831828
(3,4,5-trimethoxyphenyl) 2-methylbutanoate
CID 91873545
(6-hydroxynaphthalen-2-yl) 2,2-dimethylbutanoate;(6-hydroxynaphthalen-2-yl) 2-methylbutanoate
CID 161424798
phenyl 2-methylbutanoate;trimethylalumane
CID 155613755
(4-phenylphenyl) (2S)-2-methylbutanoate
CID 18638110
[4-(4-prop-2-enoyloxyphenyl)phenyl] 2-methylbutanoate
CID 22976556
[4-[4-(4-methoxyphenyl)phenyl]phenyl] 2-methylbutanoate
CID 22974655
4-(2-methylbutanoyloxy)benzenesulfonate
CID 58391899
[3-methyl-5-(2-methylhexanoyloxy)phenyl] 2-methylhexanoate
CID 177246707
(3,5-dihydroxyphenyl) 4-methylpentanoate
CID 175149817

Frequently Asked Questions

What is the IUPAC name of (3,5-dihydroxyphenyl) (2R)-2-methylbutanoate?
The IUPAC name of (3,5-dihydroxyphenyl) (2R)-2-methylbutanoate (CID 162869793) is (3,5-dihydroxyphenyl) (2R)-2-methylbutanoate.
What is the SMILES notation for (3,5-dihydroxyphenyl) (2R)-2-methylbutanoate?
The canonical SMILES for (3,5-dihydroxyphenyl) (2R)-2-methylbutanoate is CC[C@@H](C)C(=O)Oc1cc(O)cc(O)c1.
What is the InChIKey of (3,5-dihydroxyphenyl) (2R)-2-methylbutanoate?
The InChIKey is IDVZWPPENPYDCH-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14O4/c1-3-7(2)11(14)15-10-5-8(12)4-9(13)6-10/h4-7,12-13H,3H2,1-2H3/t7-/m1/s1.
What are the key properties of (3,5-dihydroxyphenyl) (2R)-2-methylbutanoate?
(3,5-dihydroxyphenyl) (2R)-2-methylbutanoate has a molecular weight of 210.23 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dihydroxyphenyl) (2R)-2-methylbutanoate is sourced from PubChem (CID 162869793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).