nonyl 2-hydroxy-2-(4-hydroxyphenyl)acetate

C17H26O4 — CID 67727655

IUPACnonyl 2-hydroxy-2-(4-hydroxyphenyl)acetate
SMILESCCCCCCCCCOC(=O)C(O)c1ccc(O)cc1
InChIInChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-13-21-17(20)16(19)14-9-11-15(18)12-10-14/h9-12,16,18-19H,2-8,13H2,1H3
InChIKeyCRQVZEFPVPPFII-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.72
Rot. Bonds10

About nonyl 2-hydroxy-2-(4-hydroxyphenyl)acetate

nonyl 2-hydroxy-2-(4-hydroxyphenyl)acetate (PubChem CID 67727655) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is nonyl 2-hydroxy-2-(4-hydroxyphenyl)acetate.

Molecular Properties

Compound Namenonyl 2-hydroxy-2-(4-hydroxyphenyl)acetate
PubChem CID67727655
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Namenonyl 2-hydroxy-2-(4-hydroxyphenyl)acetate
SMILESCCCCCCCCCOC(=O)C(O)c1ccc(O)cc1
InChIInChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-13-21-17(20)16(19)14-9-11-15(18)12-10-14/h9-12,16,18-19H,2-8,13H2,1H3
InChIKeyCRQVZEFPVPPFII-UHFFFAOYSA-N
XLogP3.72
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

pentyl (2R)-2-hydroxy-2-phenylacetate
CID 67071786
octadecyl 3-(4-hydroxyphenyl)heptanoate
CID 174400127
butyl (2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyacetate
CID 66617202
10-(2-hydroxy-2-phenylacetyl)oxydecyl 2-hydroxy-2-phenylacetate
CID 123268996
pentadecyl 4-hydroxybenzoate;tetradecyl 4-hydroxybenzoate
CID 161210354
octyl (2S)-2-(6-hydroxynaphthalen-2-yl)propanoate
CID 177386829
butane;docosyl 4-hydroxybenzoate
CID 175271638
8-[(2R,3S)-2,3-bis(4-hydroxyphenyl)pentanoyl]oxyoctyl (2R,3S)-2,3-bis(4-hydroxyphenyl)pentanoate
CID 138753104
hexyl (2S)-2-hydrazinyl-3-(4-hydroxyphenyl)propanoate
CID 141493620
4-(4-hexoxybutoxy)butyl 4-hydroxybenzoate
CID 54410325
dodecyl N-(4-hydroxyphenyl)carbamate
CID 139715223
decyl N-(4-hydroxyphenyl)carbamate
CID 139715215

Frequently Asked Questions

What is the IUPAC name of nonyl 2-hydroxy-2-(4-hydroxyphenyl)acetate?
The IUPAC name of nonyl 2-hydroxy-2-(4-hydroxyphenyl)acetate (CID 67727655) is nonyl 2-hydroxy-2-(4-hydroxyphenyl)acetate.
What is the SMILES notation for nonyl 2-hydroxy-2-(4-hydroxyphenyl)acetate?
The canonical SMILES for nonyl 2-hydroxy-2-(4-hydroxyphenyl)acetate is CCCCCCCCCOC(=O)C(O)c1ccc(O)cc1.
What is the InChIKey of nonyl 2-hydroxy-2-(4-hydroxyphenyl)acetate?
The InChIKey is CRQVZEFPVPPFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-13-21-17(20)16(19)14-9-11-15(18)12-10-14/h9-12,16,18-19H,2-8,13H2,1H3.
What are the key properties of nonyl 2-hydroxy-2-(4-hydroxyphenyl)acetate?
nonyl 2-hydroxy-2-(4-hydroxyphenyl)acetate has a molecular weight of 294.39 g/mol, XLogP of 3.72, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 2-hydroxy-2-(4-hydroxyphenyl)acetate is sourced from PubChem (CID 67727655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).