1-(4-methoxy-3-phenylmethoxyphenyl)-4-methylpentan-1-one

C20H24O3 — CID 19049285

IUPAC1-(4-methoxy-3-phenylmethoxyphenyl)-4-methylpentan-1-one
SMILESCOc1ccc(C(=O)CCC(C)C)cc1OCc1ccccc1
InChIInChI=1S/C20H24O3/c1-15(2)9-11-18(21)17-10-12-19(22-3)20(13-17)23-14-16-7-5-4-6-8-16/h4-8,10,12-13,15H,9,11,14H2,1-3H3
InChIKeyFRIQJUCURAANQS-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.89
Rot. Bonds8

About 1-(4-methoxy-3-phenylmethoxyphenyl)-4-methylpentan-1-one

1-(4-methoxy-3-phenylmethoxyphenyl)-4-methylpentan-1-one (PubChem CID 19049285) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-(4-methoxy-3-phenylmethoxyphenyl)-4-methylpentan-1-one.

Molecular Properties

Compound Name1-(4-methoxy-3-phenylmethoxyphenyl)-4-methylpentan-1-one
PubChem CID19049285
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Name1-(4-methoxy-3-phenylmethoxyphenyl)-4-methylpentan-1-one
SMILESCOc1ccc(C(=O)CCC(C)C)cc1OCc1ccccc1
InChIInChI=1S/C20H24O3/c1-15(2)9-11-18(21)17-10-12-19(22-3)20(13-17)23-14-16-7-5-4-6-8-16/h4-8,10,12-13,15H,9,11,14H2,1-3H3
InChIKeyFRIQJUCURAANQS-UHFFFAOYSA-N
XLogP4.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-3-phenylmethoxybenzamide
CID 22467475
propan-2-yl 4-methoxy-3-phenylmethoxybenzoate
CID 82186215
diethyl 2-[2-(4-methoxy-3-phenylmethoxyphenyl)-2-oxoethyl]propanedioate
CID 102243693
1-(4-methoxy-3-phenylmethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
CID 141465485
4-methoxy-N-methyl-3-phenylmethoxybenzamide
CID 138553454
3,3-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)propan-1-one
CID 146168049
1-(3-methoxy-4-phenylmethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 4049023
2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanone
CID 83951245
methyl 3-[3,4-bis(phenylmethoxy)phenyl]-3-oxopropanoate
CID 142350282
(2R)-2-hydroxy-4-[(4-methoxy-3-phenylmethoxybenzoyl)amino]butanoic acid
CID 13341006
3-amino-1-(3-chloro-4-phenylmethoxyphenyl)propan-1-one
CID 117468024
[2-(4-methoxy-3-phenylmethoxyphenyl)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 101165003

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-phenylmethoxyphenyl)-4-methylpentan-1-one?
The IUPAC name of 1-(4-methoxy-3-phenylmethoxyphenyl)-4-methylpentan-1-one (CID 19049285) is 1-(4-methoxy-3-phenylmethoxyphenyl)-4-methylpentan-1-one.
What is the SMILES notation for 1-(4-methoxy-3-phenylmethoxyphenyl)-4-methylpentan-1-one?
The canonical SMILES for 1-(4-methoxy-3-phenylmethoxyphenyl)-4-methylpentan-1-one is COc1ccc(C(=O)CCC(C)C)cc1OCc1ccccc1.
What is the InChIKey of 1-(4-methoxy-3-phenylmethoxyphenyl)-4-methylpentan-1-one?
The InChIKey is FRIQJUCURAANQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O3/c1-15(2)9-11-18(21)17-10-12-19(22-3)20(13-17)23-14-16-7-5-4-6-8-16/h4-8,10,12-13,15H,9,11,14H2,1-3H3.
What are the key properties of 1-(4-methoxy-3-phenylmethoxyphenyl)-4-methylpentan-1-one?
1-(4-methoxy-3-phenylmethoxyphenyl)-4-methylpentan-1-one has a molecular weight of 312.41 g/mol, XLogP of 4.89, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-phenylmethoxyphenyl)-4-methylpentan-1-one is sourced from PubChem (CID 19049285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).