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

C19H19FO4 — CID 68988840

IUPAC[4-[(4-cyclopropyloxyphenyl)methyl]-3-fluoro-5-hydroxyphenyl]methyl acetate
SMILESCC(=O)OCc1cc(O)c(Cc2ccc(OC3CC3)cc2)c(F)c1
InChIInChI=1S/C19H19FO4/c1-12(21)23-11-14-9-18(20)17(19(22)10-14)8-13-2-4-15(5-3-13)24-16-6-7-16/h2-5,9-10,16,22H,6-8,11H2,1H3
InChIKeyMPHNKUIKSUGIKZ-UHFFFAOYSA-N
MW330.36 g/mol
LogP3.73
Rot. Bonds6

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

[4-[(4-cyclopropyloxyphenyl)methyl]-3-fluoro-5-hydroxyphenyl]methyl acetate (PubChem CID 68988840) has the molecular formula C19H19FO4 and a molecular weight of 330.36 g/mol. Its IUPAC name is [4-[(4-cyclopropyloxyphenyl)methyl]-3-fluoro-5-hydroxyphenyl]methyl acetate.

Molecular Properties

Compound Name[4-[(4-cyclopropyloxyphenyl)methyl]-3-fluoro-5-hydroxyphenyl]methyl acetate
PubChem CID68988840
Molecular FormulaC19H19FO4
Molecular Weight330.36 g/mol
Exact Mass330.13
IUPAC Name[4-[(4-cyclopropyloxyphenyl)methyl]-3-fluoro-5-hydroxyphenyl]methyl acetate
SMILESCC(=O)OCc1cc(O)c(Cc2ccc(OC3CC3)cc2)c(F)c1
InChIInChI=1S/C19H19FO4/c1-12(21)23-11-14-9-18(20)17(19(22)10-14)8-13-2-4-15(5-3-13)24-16-6-7-16/h2-5,9-10,16,22H,6-8,11H2,1H3
InChIKeyMPHNKUIKSUGIKZ-UHFFFAOYSA-N
XLogP3.73
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(4-cyclopropyloxyphenyl)methyl]-3-hydroxy-5-methylphenyl]methyl acetate
CID 68986403
[4-[(4-ethylphenyl)methyl]-3-fluoro-5-hydroxyphenyl]methyl acetate
CID 68987644
[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
[3-bromo-4-[(4-methoxyphenyl)methyl]-5-(oxan-2-yloxy)phenyl]methyl acetate
CID 68985770
[6-(acetyloxymethyl)naphthalen-2-yl]methyl acetate
CID 57059015
(4-fluorophenyl)methyl acetate
CID 14793785
2-(4-cyclopentyloxyphenyl)acetamide
CID 82493829
(3-fluoro-4-methylsulfonylphenyl)methyl acetate
CID 151545058
[4-[4-[4-(hydroxymethyl)phenoxy]cyclohexyl]oxyphenyl]methanol
CID 118229832
bis[4-(acetyloxymethyl)phenyl] cyclohexane-1,4-dicarboxylate;molecular hydrogen
CID 159835979
(2,4-dihydroxyphenyl)methyl acetate
CID 102447193
[(2R,3R,4S,5R,6R)-6-[5-(acetyloxymethyl)-3-fluoro-2-[(4-methoxyphenyl)methyl]phenyl]-4,5-dibenzoyloxy-2-[(1S)-1-benzoyloxyethyl]-6-hydroxyoxan-3-yl] benzoate
CID 68991155

Frequently Asked Questions

What is the IUPAC name of [4-[(4-cyclopropyloxyphenyl)methyl]-3-fluoro-5-hydroxyphenyl]methyl acetate?
The IUPAC name of [4-[(4-cyclopropyloxyphenyl)methyl]-3-fluoro-5-hydroxyphenyl]methyl acetate (CID 68988840) is [4-[(4-cyclopropyloxyphenyl)methyl]-3-fluoro-5-hydroxyphenyl]methyl acetate.
What is the SMILES notation for [4-[(4-cyclopropyloxyphenyl)methyl]-3-fluoro-5-hydroxyphenyl]methyl acetate?
The canonical SMILES for [4-[(4-cyclopropyloxyphenyl)methyl]-3-fluoro-5-hydroxyphenyl]methyl acetate is CC(=O)OCc1cc(O)c(Cc2ccc(OC3CC3)cc2)c(F)c1.
What is the InChIKey of [4-[(4-cyclopropyloxyphenyl)methyl]-3-fluoro-5-hydroxyphenyl]methyl acetate?
The InChIKey is MPHNKUIKSUGIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FO4/c1-12(21)23-11-14-9-18(20)17(19(22)10-14)8-13-2-4-15(5-3-13)24-16-6-7-16/h2-5,9-10,16,22H,6-8,11H2,1H3.
What are the key properties of [4-[(4-cyclopropyloxyphenyl)methyl]-3-fluoro-5-hydroxyphenyl]methyl acetate?
[4-[(4-cyclopropyloxyphenyl)methyl]-3-fluoro-5-hydroxyphenyl]methyl acetate has a molecular weight of 330.36 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-cyclopropyloxyphenyl)methyl]-3-fluoro-5-hydroxyphenyl]methyl acetate is sourced from PubChem (CID 68988840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).