[acetyloxy-(4-methoxy-3-phenylmethoxyphenyl)methyl] acetate

C19H20O6 — CID 101183057

IUPAC[acetyloxy-(4-methoxy-3-phenylmethoxyphenyl)methyl] acetate
SMILESCOc1ccc(C(OC(C)=O)OC(C)=O)cc1OCc1ccccc1
InChIInChI=1S/C19H20O6/c1-13(20)24-19(25-14(2)21)16-9-10-17(22-3)18(11-16)23-12-15-7-5-4-6-8-15/h4-11,19H,12H2,1-3H3
InChIKeyVXUBJCQKCKDYOP-UHFFFAOYSA-N
MW344.36 g/mol
LogP3.40
Rot. Bonds7

About [acetyloxy-(4-methoxy-3-phenylmethoxyphenyl)methyl] acetate

[acetyloxy-(4-methoxy-3-phenylmethoxyphenyl)methyl] acetate (PubChem CID 101183057) has the molecular formula C19H20O6 and a molecular weight of 344.36 g/mol. Its IUPAC name is [acetyloxy-(4-methoxy-3-phenylmethoxyphenyl)methyl] acetate.

Molecular Properties

Compound Name[acetyloxy-(4-methoxy-3-phenylmethoxyphenyl)methyl] acetate
PubChem CID101183057
Molecular FormulaC19H20O6
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name[acetyloxy-(4-methoxy-3-phenylmethoxyphenyl)methyl] acetate
SMILESCOc1ccc(C(OC(C)=O)OC(C)=O)cc1OCc1ccccc1
InChIInChI=1S/C19H20O6/c1-13(20)24-19(25-14(2)21)16-9-10-17(22-3)18(11-16)23-12-15-7-5-4-6-8-15/h4-11,19H,12H2,1-3H3
InChIKeyVXUBJCQKCKDYOP-UHFFFAOYSA-N
XLogP3.40
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171212981
ethyl (3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propanoate
CID 171213027
propan-2-yl 4-methoxy-3-phenylmethoxybenzoate
CID 82186215
1-(4-methoxy-3-phenylmethoxyphenyl)butan-1-ol
CID 83951248
4-methoxy-3-phenylmethoxybenzamide
CID 22467475
(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
CID 63364701
(3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propan-1-ol;hydrochloride
CID 171213030
4-(1-azidoethyl)-1-methoxy-2-phenylmethoxybenzene
CID 42625428
2-[(4-methoxy-3-phenylmethoxyphenyl)methyl]butanoic acid
CID 175151387
N-[(4-methoxy-3-phenylmethoxyphenyl)-[(2-methylbenzoyl)amino]methyl]-2-methylbenzamide
CID 18890163
(1S)-1-(4-methoxy-3-phenylmethoxyphenyl)prop-2-en-1-amine
CID 171232603
(1R)-2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine
CID 66512512

Frequently Asked Questions

What is the IUPAC name of [acetyloxy-(4-methoxy-3-phenylmethoxyphenyl)methyl] acetate?
The IUPAC name of [acetyloxy-(4-methoxy-3-phenylmethoxyphenyl)methyl] acetate (CID 101183057) is [acetyloxy-(4-methoxy-3-phenylmethoxyphenyl)methyl] acetate.
What is the SMILES notation for [acetyloxy-(4-methoxy-3-phenylmethoxyphenyl)methyl] acetate?
The canonical SMILES for [acetyloxy-(4-methoxy-3-phenylmethoxyphenyl)methyl] acetate is COc1ccc(C(OC(C)=O)OC(C)=O)cc1OCc1ccccc1.
What is the InChIKey of [acetyloxy-(4-methoxy-3-phenylmethoxyphenyl)methyl] acetate?
The InChIKey is VXUBJCQKCKDYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O6/c1-13(20)24-19(25-14(2)21)16-9-10-17(22-3)18(11-16)23-12-15-7-5-4-6-8-15/h4-11,19H,12H2,1-3H3.
What are the key properties of [acetyloxy-(4-methoxy-3-phenylmethoxyphenyl)methyl] acetate?
[acetyloxy-(4-methoxy-3-phenylmethoxyphenyl)methyl] acetate has a molecular weight of 344.36 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxy-(4-methoxy-3-phenylmethoxyphenyl)methyl] acetate is sourced from PubChem (CID 101183057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).