[3-methoxy-2-(4-methoxybenzoyl)-5-methylphenyl] acetate

C18H18O5 — CID 68984989

IUPAC[3-methoxy-2-(4-methoxybenzoyl)-5-methylphenyl] acetate
SMILESCOc1ccc(C(=O)c2c(OC)cc(C)cc2OC(C)=O)cc1
InChIInChI=1S/C18H18O5/c1-11-9-15(22-4)17(16(10-11)23-12(2)19)18(20)13-5-7-14(21-3)8-6-13/h5-10H,1-4H3
InChIKeySUYBRFBFESMVLH-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.17
Rot. Bonds5

About [3-methoxy-2-(4-methoxybenzoyl)-5-methylphenyl] acetate

[3-methoxy-2-(4-methoxybenzoyl)-5-methylphenyl] acetate (PubChem CID 68984989) has the molecular formula C18H18O5 and a molecular weight of 314.34 g/mol. Its IUPAC name is [3-methoxy-2-(4-methoxybenzoyl)-5-methylphenyl] acetate.

Molecular Properties

Compound Name[3-methoxy-2-(4-methoxybenzoyl)-5-methylphenyl] acetate
PubChem CID68984989
Molecular FormulaC18H18O5
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Name[3-methoxy-2-(4-methoxybenzoyl)-5-methylphenyl] acetate
SMILESCOc1ccc(C(=O)c2c(OC)cc(C)cc2OC(C)=O)cc1
InChIInChI=1S/C18H18O5/c1-11-9-15(22-4)17(16(10-11)23-12(2)19)18(20)13-5-7-14(21-3)8-6-13/h5-10H,1-4H3
InChIKeySUYBRFBFESMVLH-UHFFFAOYSA-N
XLogP3.17
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
methane;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 161368875
[3-methoxy-2-[2-methoxy-6-[4-(4-methoxyphenyl)benzoyl]oxy-4-methylphenyl]-5-methylphenyl] 4-(4-methoxyphenyl)benzoate
CID 89118190
[3,5-dimethoxy-2-[(E)-3-(4-methoxyphenyl)(1,2,3-13C3)prop-2-enoyl]phenyl] acetate
CID 46702268
[4-(3,5-dimethylbenzoyl)phenyl] acetate
CID 24723053
[2-(2-acetyloxy-4-methoxybenzoyl)-5-methoxyphenyl] acetate
CID 121279078
(3,4-dimethylphenyl)-(4-methoxy-3-methylphenyl)methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 162090190
[4-[4-[4-[4-[4-[4-[4-(4-methoxyphenoxy)benzoyl]phenoxy]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 20643575
(3,4-dimethylphenyl) 4-methoxybenzoate
CID 4928836
(4-methoxyphenyl)-(4-methylphenyl)methanone;1-[4-[4-(4-methylphenoxy)benzoyl]phenyl]ethanone
CID 145054271
N-(4-methoxyphenyl)-4-(2,4,6-trimethylbenzoyl)benzamide
CID 1068398
(3,4-dimethoxyphenyl) acetate
CID 593001

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-2-(4-methoxybenzoyl)-5-methylphenyl] acetate?
The IUPAC name of [3-methoxy-2-(4-methoxybenzoyl)-5-methylphenyl] acetate (CID 68984989) is [3-methoxy-2-(4-methoxybenzoyl)-5-methylphenyl] acetate.
What is the SMILES notation for [3-methoxy-2-(4-methoxybenzoyl)-5-methylphenyl] acetate?
The canonical SMILES for [3-methoxy-2-(4-methoxybenzoyl)-5-methylphenyl] acetate is COc1ccc(C(=O)c2c(OC)cc(C)cc2OC(C)=O)cc1.
What is the InChIKey of [3-methoxy-2-(4-methoxybenzoyl)-5-methylphenyl] acetate?
The InChIKey is SUYBRFBFESMVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O5/c1-11-9-15(22-4)17(16(10-11)23-12(2)19)18(20)13-5-7-14(21-3)8-6-13/h5-10H,1-4H3.
What are the key properties of [3-methoxy-2-(4-methoxybenzoyl)-5-methylphenyl] acetate?
[3-methoxy-2-(4-methoxybenzoyl)-5-methylphenyl] acetate has a molecular weight of 314.34 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-2-(4-methoxybenzoyl)-5-methylphenyl] acetate is sourced from PubChem (CID 68984989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).