[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate

C18H20O3 — CID 22947159

IUPAC[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate
SMILESCOc1ccc(C(C)(C)c2ccc(OC(C)=O)cc2)cc1
InChIInChI=1S/C18H20O3/c1-13(19)21-17-11-7-15(8-12-17)18(2,3)14-5-9-16(20-4)10-6-14/h5-12H,1-4H3
InChIKeyMXNMKOQEJHXPFO-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.95
Rot. Bonds4

About [4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate

[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate (PubChem CID 22947159) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is [4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate.

Molecular Properties

Compound Name[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate
PubChem CID22947159
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate
SMILESCOc1ccc(C(C)(C)c2ccc(OC(C)=O)cc2)cc1
InChIInChI=1S/C18H20O3/c1-13(19)21-17-11-7-15(8-12-17)18(2,3)14-5-9-16(20-4)10-6-14/h5-12H,1-4H3
InChIKeyMXNMKOQEJHXPFO-UHFFFAOYSA-N
XLogP3.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;methane;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate
CID 159845877
methane;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] acetate
CID 157158688
[4-[2-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] benzoate;phenyl acetate;propan-2-one
CID 159781668
[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate
CID 18728940
ethane;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] ethaneperoxoate
CID 91574061
[4-[2-[4-[4-(N-[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-4-methylanilino)phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] acetate
CID 59937331
1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;terephthalic acid
CID 22421309
ethane;methane;[4-(4-methoxyphenyl)phenyl] acetate;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate;3-methoxypropyl acetate
CID 159885894
[4-[2-(4-acetyloxyphenyl)-5-hydroxypentan-2-yl]phenyl] 4-[2-(4-methoxyphenyl)propan-2-yl]benzoate
CID 20730190
[4-[2-(4-acetyloxyphenyl)propan-2-yl]phenyl] benzoate
CID 22959507
[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] [4-[2-(4-trimethylsilyloxyphenyl)propan-2-yl]phenyl] carbonate
CID 170514831
[4-[2-[2-acetyloxy-5-[2-[4-acetyloxy-3-[2-(4-acetyloxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl] acetate
CID 102067968

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate?
The IUPAC name of [4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate (CID 22947159) is [4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate.
What is the SMILES notation for [4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate?
The canonical SMILES for [4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate is COc1ccc(C(C)(C)c2ccc(OC(C)=O)cc2)cc1.
What is the InChIKey of [4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate?
The InChIKey is MXNMKOQEJHXPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-13(19)21-17-11-7-15(8-12-17)18(2,3)14-5-9-16(20-4)10-6-14/h5-12H,1-4H3.
What are the key properties of [4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate?
[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate has a molecular weight of 284.36 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate is sourced from PubChem (CID 22947159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).