[3-[(4-propoxyphenyl)methyl]phenyl]methyl acetate

C19H22O3 — CID 174570174

IUPAC[3-[(4-propoxyphenyl)methyl]phenyl]methyl acetate
SMILESCCCOc1ccc(Cc2cccc(COC(C)=O)c2)cc1
InChIInChI=1S/C19H22O3/c1-3-11-21-19-9-7-16(8-10-19)12-17-5-4-6-18(13-17)14-22-15(2)20/h4-10,13H,3,11-12,14H2,1-2H3
InChIKeyKHLXXVNICSDXSO-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.13
Rot. Bonds7

About [3-[(4-propoxyphenyl)methyl]phenyl]methyl acetate

[3-[(4-propoxyphenyl)methyl]phenyl]methyl acetate (PubChem CID 174570174) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is [3-[(4-propoxyphenyl)methyl]phenyl]methyl acetate.

Molecular Properties

Compound Name[3-[(4-propoxyphenyl)methyl]phenyl]methyl acetate
PubChem CID174570174
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name[3-[(4-propoxyphenyl)methyl]phenyl]methyl acetate
SMILESCCCOc1ccc(Cc2cccc(COC(C)=O)c2)cc1
InChIInChI=1S/C19H22O3/c1-3-11-21-19-9-7-16(8-10-19)12-17-5-4-6-18(13-17)14-22-15(2)20/h4-10,13H,3,11-12,14H2,1-2H3
InChIKeyKHLXXVNICSDXSO-UHFFFAOYSA-N
XLogP4.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-propoxyphenyl)methyl acetate
CID 150263336
[3-(aminomethyl)phenyl]methyl acetate
CID 147642201
[3-(acetyloxymethyl)phenyl]methyl 2-ethylbutanoate
CID 170293826
[6-(acetyloxymethyl)naphthalen-2-yl]methyl acetate
CID 57059015
1-ethoxy-4-[(4-propoxyphenyl)methyl]benzene
CID 21338136
benzyl acetate;butyl acetate
CID 158391193
[3-[(4-ethoxyphenyl)methyl]phenyl]methanamine
CID 116926187
(3-butoxy-5-hydroxyphenyl)methyl acetate
CID 150583952
[3-[[(4-butylphenyl)methylamino]methyl]phenyl]methyl acetate
CID 174388857
(4-propoxyphenyl) 3-(methoxymethyl)benzoate
CID 55382877
bis[(4-butoxyphenyl)methyl] carbonate
CID 54373584
bis[(4-butoxyphenyl)methyl] oxalate
CID 23367588

Frequently Asked Questions

What is the IUPAC name of [3-[(4-propoxyphenyl)methyl]phenyl]methyl acetate?
The IUPAC name of [3-[(4-propoxyphenyl)methyl]phenyl]methyl acetate (CID 174570174) is [3-[(4-propoxyphenyl)methyl]phenyl]methyl acetate.
What is the SMILES notation for [3-[(4-propoxyphenyl)methyl]phenyl]methyl acetate?
The canonical SMILES for [3-[(4-propoxyphenyl)methyl]phenyl]methyl acetate is CCCOc1ccc(Cc2cccc(COC(C)=O)c2)cc1.
What is the InChIKey of [3-[(4-propoxyphenyl)methyl]phenyl]methyl acetate?
The InChIKey is KHLXXVNICSDXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-3-11-21-19-9-7-16(8-10-19)12-17-5-4-6-18(13-17)14-22-15(2)20/h4-10,13H,3,11-12,14H2,1-2H3.
What are the key properties of [3-[(4-propoxyphenyl)methyl]phenyl]methyl acetate?
[3-[(4-propoxyphenyl)methyl]phenyl]methyl acetate has a molecular weight of 298.38 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-propoxyphenyl)methyl]phenyl]methyl acetate is sourced from PubChem (CID 174570174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).