[4-[(4-ethylphenyl)methyl]-3-fluoro-5-hydroxyphenyl]methyl acetate

C18H19FO3 — CID 68987644

IUPAC[4-[(4-ethylphenyl)methyl]-3-fluoro-5-hydroxyphenyl]methyl acetate
SMILESCCc1ccc(Cc2c(O)cc(COC(C)=O)cc2F)cc1
InChIInChI=1S/C18H19FO3/c1-3-13-4-6-14(7-5-13)8-16-17(19)9-15(10-18(16)21)11-22-12(2)20/h4-7,9-10,21H,3,8,11H2,1-2H3
InChIKeyGMGMCSLFRBITDH-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.75
Rot. Bonds5

About [4-[(4-ethylphenyl)methyl]-3-fluoro-5-hydroxyphenyl]methyl acetate

[4-[(4-ethylphenyl)methyl]-3-fluoro-5-hydroxyphenyl]methyl acetate (PubChem CID 68987644) has the molecular formula C18H19FO3 and a molecular weight of 302.35 g/mol. Its IUPAC name is [4-[(4-ethylphenyl)methyl]-3-fluoro-5-hydroxyphenyl]methyl acetate.

Molecular Properties

Compound Name[4-[(4-ethylphenyl)methyl]-3-fluoro-5-hydroxyphenyl]methyl acetate
PubChem CID68987644
Molecular FormulaC18H19FO3
Molecular Weight302.35 g/mol
Exact Mass302.13
IUPAC Name[4-[(4-ethylphenyl)methyl]-3-fluoro-5-hydroxyphenyl]methyl acetate
SMILESCCc1ccc(Cc2c(O)cc(COC(C)=O)cc2F)cc1
InChIInChI=1S/C18H19FO3/c1-3-13-4-6-14(7-5-13)8-16-17(19)9-15(10-18(16)21)11-22-12(2)20/h4-7,9-10,21H,3,8,11H2,1-2H3
InChIKeyGMGMCSLFRBITDH-UHFFFAOYSA-N
XLogP3.75
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(4-cyclopropyloxyphenyl)methyl]-3-fluoro-5-hydroxyphenyl]methyl acetate
CID 68988840
(4-fluoro-3-hydroxyphenyl)methyl acetate
CID 130354561
[3-chloro-4-[(4-ethoxyphenyl)methyl]-5-hydroxyphenyl]methyl acetate
CID 68990563
[4-[(4-cyclopropyloxyphenyl)methyl]-3-hydroxy-5-methylphenyl]methyl acetate
CID 68986403
(4-fluorophenyl)methyl acetate
CID 14793785
(3-fluoro-4-methylsulfonylphenyl)methyl acetate
CID 151545058
ethane;(4-ethylphenyl)methyl carbonofluoridate
CID 178047310
[4-[(4-ethoxyphenyl)methyl]-3-fluoro-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(1R)-1-hydroxyethyl]oxan-2-yl]oxyphenyl]methyl acetate
CID 68986308
[5-[(4-ethylphenyl)methyl]-2-oxo-1,3-dioxol-4-yl]methyl acetate
CID 71048131
(4-hydroxynaphthalen-2-yl)methyl acetate
CID 150198029
[3-fluoro-4-[hydroxy(methoxy)methyl]phenyl]methyl acetate
CID 146606751
[6-(acetyloxymethyl)naphthalen-2-yl]methyl acetate
CID 57059015

Frequently Asked Questions

What is the IUPAC name of [4-[(4-ethylphenyl)methyl]-3-fluoro-5-hydroxyphenyl]methyl acetate?
The IUPAC name of [4-[(4-ethylphenyl)methyl]-3-fluoro-5-hydroxyphenyl]methyl acetate (CID 68987644) is [4-[(4-ethylphenyl)methyl]-3-fluoro-5-hydroxyphenyl]methyl acetate.
What is the SMILES notation for [4-[(4-ethylphenyl)methyl]-3-fluoro-5-hydroxyphenyl]methyl acetate?
The canonical SMILES for [4-[(4-ethylphenyl)methyl]-3-fluoro-5-hydroxyphenyl]methyl acetate is CCc1ccc(Cc2c(O)cc(COC(C)=O)cc2F)cc1.
What is the InChIKey of [4-[(4-ethylphenyl)methyl]-3-fluoro-5-hydroxyphenyl]methyl acetate?
The InChIKey is GMGMCSLFRBITDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO3/c1-3-13-4-6-14(7-5-13)8-16-17(19)9-15(10-18(16)21)11-22-12(2)20/h4-7,9-10,21H,3,8,11H2,1-2H3.
What are the key properties of [4-[(4-ethylphenyl)methyl]-3-fluoro-5-hydroxyphenyl]methyl acetate?
[4-[(4-ethylphenyl)methyl]-3-fluoro-5-hydroxyphenyl]methyl acetate has a molecular weight of 302.35 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-ethylphenyl)methyl]-3-fluoro-5-hydroxyphenyl]methyl acetate is sourced from PubChem (CID 68987644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).