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

C24H40O3 — CID 159845877

IUPACethane;methane;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate
SMILESC.C.CC.CC.COc1ccc(C(C)(C)c2ccc(OC(C)=O)cc2)cc1
InChIInChI=1S/C18H20O3.2C2H6.2CH4/c1-13(19)21-17-11-7-15(8-12-17)18(2,3)14-5-9-16(20-4)10-6-14;2*1-2;;/h5-12H,1-4H3;2*1-2H3;2*1H4
InChIKeyNPHGYLHRGBJDBU-UHFFFAOYSA-N
MW376.58 g/mol
LogP7.27
Rot. Bonds4

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

ethane;methane;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate (PubChem CID 159845877) has the molecular formula C24H40O3 and a molecular weight of 376.58 g/mol. Its IUPAC name is ethane;methane;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate.

Molecular Properties

Compound Nameethane;methane;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate
PubChem CID159845877
Molecular FormulaC24H40O3
Molecular Weight376.58 g/mol
Exact Mass376.30
IUPAC Nameethane;methane;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate
SMILESC.C.CC.CC.COc1ccc(C(C)(C)c2ccc(OC(C)=O)cc2)cc1
InChIInChI=1S/C18H20O3.2C2H6.2CH4/c1-13(19)21-17-11-7-15(8-12-17)18(2,3)14-5-9-16(20-4)10-6-14;2*1-2;;/h5-12H,1-4H3;2*1-2H3;2*1H4
InChIKeyNPHGYLHRGBJDBU-UHFFFAOYSA-N
XLogP7.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.58
LogP ≤ 57.27
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

[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate
CID 22947159
ethane;methane;[4-(4-methoxyphenyl)phenyl] acetate;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate;3-methoxypropyl acetate
CID 159885894
methane;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] acetate
CID 157158688
ethane;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] ethaneperoxoate
CID 91574061
[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
[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
[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 ethane;methane;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate?
The IUPAC name of ethane;methane;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate (CID 159845877) is ethane;methane;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate.
What is the SMILES notation for ethane;methane;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate?
The canonical SMILES for ethane;methane;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate is C.C.CC.CC.COc1ccc(C(C)(C)c2ccc(OC(C)=O)cc2)cc1.
What is the InChIKey of ethane;methane;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate?
The InChIKey is NPHGYLHRGBJDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3.2C2H6.2CH4/c1-13(19)21-17-11-7-15(8-12-17)18(2,3)14-5-9-16(20-4)10-6-14;2*1-2;;/h5-12H,1-4H3;2*1-2H3;2*1H4.
What are the key properties of ethane;methane;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate?
ethane;methane;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate has a molecular weight of 376.58 g/mol, XLogP of 7.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate is sourced from PubChem (CID 159845877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).