fluoro 4-[(2E,4Z)-2-ethylhexa-2,4-dienoxy]-3-hydroxybenzoate

C15H17FO4 — CID 143955564

IUPACfluoro 4-[(2E,4Z)-2-ethylhexa-2,4-dienoxy]-3-hydroxybenzoate
SMILESC/C=C\C=C(/CC)COc1ccc(C(=O)OF)cc1O
InChIInChI=1S/C15H17FO4/c1-3-5-6-11(4-2)10-19-14-8-7-12(9-13(14)17)15(18)20-16/h3,5-9,17H,4,10H2,1-2H3/b5-3-,11-6+
InChIKeySLZPOTDFKXRHGN-GGKXIICKSA-N
MW280.30 g/mol
LogP3.72
Rot. Bonds6

About fluoro 4-[(2E,4Z)-2-ethylhexa-2,4-dienoxy]-3-hydroxybenzoate

fluoro 4-[(2E,4Z)-2-ethylhexa-2,4-dienoxy]-3-hydroxybenzoate (PubChem CID 143955564) has the molecular formula C15H17FO4 and a molecular weight of 280.30 g/mol. Its IUPAC name is fluoro 4-[(2E,4Z)-2-ethylhexa-2,4-dienoxy]-3-hydroxybenzoate.

Molecular Properties

Compound Namefluoro 4-[(2E,4Z)-2-ethylhexa-2,4-dienoxy]-3-hydroxybenzoate
PubChem CID143955564
Molecular FormulaC15H17FO4
Molecular Weight280.30 g/mol
Exact Mass280.11
IUPAC Namefluoro 4-[(2E,4Z)-2-ethylhexa-2,4-dienoxy]-3-hydroxybenzoate
SMILESC/C=C\C=C(/CC)COc1ccc(C(=O)OF)cc1O
InChIInChI=1S/C15H17FO4/c1-3-5-6-11(4-2)10-19-14-8-7-12(9-13(14)17)15(18)20-16/h3,5-9,17H,4,10H2,1-2H3/b5-3-,11-6+
InChIKeySLZPOTDFKXRHGN-GGKXIICKSA-N
XLogP3.72
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

fluoro 4-(3-chloropropoxy)-3-ethylbenzoate
CID 174466899
methyl 3-hydroxy-4-(2-methoxyethoxy)benzoate
CID 141235728
ethyl 4-(difluoromethoxy)-3-hydroxybenzoate
CID 125496568
fluoro 4-amino-3-hydroxybenzoate
CID 144796447
2-(4-ethoxycarbonyl-2-hydroxyphenoxy)ethyl-trimethylazanium
CID 23160704
fluoro 3-chloro-4-ethylbenzoate
CID 175246982
butyl 3-hydroxy-4-methoxybenzoate
CID 79556295
ethyl 2-(2-hydroxy-4-methylphenoxy)acetate
CID 67510779
ethyl 3-hydroxy-4-[(4-propan-2-ylphenyl)methoxy]benzoate
CID 118408203
ethyl 3,4-dihydroxybenzoate;ethyl 3-hydroxy-4-phenylmethoxybenzoate;methane
CID 158916697
2-(diethylamino)ethyl 3-hydroxy-4-methoxybenzoate;hydrochloride
CID 2853546
fluoro 3,4-diaminobenzoate
CID 142205723

Frequently Asked Questions

What is the IUPAC name of fluoro 4-[(2E,4Z)-2-ethylhexa-2,4-dienoxy]-3-hydroxybenzoate?
The IUPAC name of fluoro 4-[(2E,4Z)-2-ethylhexa-2,4-dienoxy]-3-hydroxybenzoate (CID 143955564) is fluoro 4-[(2E,4Z)-2-ethylhexa-2,4-dienoxy]-3-hydroxybenzoate.
What is the SMILES notation for fluoro 4-[(2E,4Z)-2-ethylhexa-2,4-dienoxy]-3-hydroxybenzoate?
The canonical SMILES for fluoro 4-[(2E,4Z)-2-ethylhexa-2,4-dienoxy]-3-hydroxybenzoate is C/C=C\C=C(/CC)COc1ccc(C(=O)OF)cc1O.
What is the InChIKey of fluoro 4-[(2E,4Z)-2-ethylhexa-2,4-dienoxy]-3-hydroxybenzoate?
The InChIKey is SLZPOTDFKXRHGN-GGKXIICKSA-N. The full InChI is InChI=1S/C15H17FO4/c1-3-5-6-11(4-2)10-19-14-8-7-12(9-13(14)17)15(18)20-16/h3,5-9,17H,4,10H2,1-2H3/b5-3-,11-6+.
What are the key properties of fluoro 4-[(2E,4Z)-2-ethylhexa-2,4-dienoxy]-3-hydroxybenzoate?
fluoro 4-[(2E,4Z)-2-ethylhexa-2,4-dienoxy]-3-hydroxybenzoate has a molecular weight of 280.30 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 4-[(2E,4Z)-2-ethylhexa-2,4-dienoxy]-3-hydroxybenzoate is sourced from PubChem (CID 143955564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).