1-[4-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]ethanone

C16H15ClO3 — CID 91863947

IUPAC1-[4-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]ethanone
SMILESCOc1cc(OCc2ccc(Cl)cc2)ccc1C(C)=O
InChIInChI=1S/C16H15ClO3/c1-11(18)15-8-7-14(9-16(15)19-2)20-10-12-3-5-13(17)6-4-12/h3-9H,10H2,1-2H3
InChIKeyBKEMPAYCTQFKBT-UHFFFAOYSA-N
MW290.75 g/mol
LogP4.13
Rot. Bonds5

About 1-[4-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]ethanone

1-[4-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]ethanone (PubChem CID 91863947) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is 1-[4-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]ethanone
PubChem CID91863947
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Name1-[4-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]ethanone
SMILESCOc1cc(OCc2ccc(Cl)cc2)ccc1C(C)=O
InChIInChI=1S/C16H15ClO3/c1-11(18)15-8-7-14(9-16(15)19-2)20-10-12-3-5-13(17)6-4-12/h3-9H,10H2,1-2H3
InChIKeyBKEMPAYCTQFKBT-UHFFFAOYSA-N
XLogP4.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 91863953
1-[2,4-bis[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 11280801
methyl 2-acetyl-5-[(4-chlorophenyl)methoxy]benzoate
CID 91864100
2-[(4-chlorophenyl)methoxy]-4-methoxybenzoic acid
CID 20991387
4-[(4-chlorophenyl)methoxy]-2-methoxyaniline
CID 65126776
3-[(4-acetyl-3-methoxyphenoxy)methyl]benzoic acid
CID 91863937
1-[2-[(4-chlorophenyl)methoxy]phenyl]ethanone
CID 2763955
1-[4-(4-chlorophenyl)-2-methoxyphenyl]ethanone
CID 159226869
1-[2-amino-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 91863870
2-[2-[(4-acetyl-3-methoxyphenoxy)methyl]phenyl]acetic acid
CID 91863926
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide
CID 3617616
1-[2-[(2,4-dichlorophenyl)methoxy]-4-methoxyphenyl]ethanone
CID 78906437

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]ethanone?
The IUPAC name of 1-[4-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]ethanone (CID 91863947) is 1-[4-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[4-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]ethanone?
The canonical SMILES for 1-[4-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]ethanone is COc1cc(OCc2ccc(Cl)cc2)ccc1C(C)=O.
What is the InChIKey of 1-[4-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]ethanone?
The InChIKey is BKEMPAYCTQFKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-11(18)15-8-7-14(9-16(15)19-2)20-10-12-3-5-13(17)6-4-12/h3-9H,10H2,1-2H3.
What are the key properties of 1-[4-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]ethanone?
1-[4-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]ethanone has a molecular weight of 290.75 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]ethanone is sourced from PubChem (CID 91863947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).