1-[4-[(2-chlorophenyl)methoxy]-3-methylphenyl]-3-methoxypropan-1-one

C18H19ClO3 — CID 82051624

IUPAC1-[4-[(2-chlorophenyl)methoxy]-3-methylphenyl]-3-methoxypropan-1-one
SMILESCOCCC(=O)c1ccc(OCc2ccccc2Cl)c(C)c1
InChIInChI=1S/C18H19ClO3/c1-13-11-14(17(20)9-10-21-2)7-8-18(13)22-12-15-5-3-4-6-16(15)19/h3-8,11H,9-10,12H2,1-2H3
InChIKeyMLHUPMLEPQDMCI-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.45
Rot. Bonds7

About 1-[4-[(2-chlorophenyl)methoxy]-3-methylphenyl]-3-methoxypropan-1-one

1-[4-[(2-chlorophenyl)methoxy]-3-methylphenyl]-3-methoxypropan-1-one (PubChem CID 82051624) has the molecular formula C18H19ClO3 and a molecular weight of 318.80 g/mol. Its IUPAC name is 1-[4-[(2-chlorophenyl)methoxy]-3-methylphenyl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-[4-[(2-chlorophenyl)methoxy]-3-methylphenyl]-3-methoxypropan-1-one
PubChem CID82051624
Molecular FormulaC18H19ClO3
Molecular Weight318.80 g/mol
Exact Mass318.10
IUPAC Name1-[4-[(2-chlorophenyl)methoxy]-3-methylphenyl]-3-methoxypropan-1-one
SMILESCOCCC(=O)c1ccc(OCc2ccccc2Cl)c(C)c1
InChIInChI=1S/C18H19ClO3/c1-13-11-14(17(20)9-10-21-2)7-8-18(13)22-12-15-5-3-4-6-16(15)19/h3-8,11H,9-10,12H2,1-2H3
InChIKeyMLHUPMLEPQDMCI-UHFFFAOYSA-N
XLogP4.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(2-chlorophenyl)methoxy]-3-hydroxyphenyl]ethanone
CID 10850109
2-[(2-chlorophenyl)methoxy]-1-(3,4-dimethylphenyl)ethanone
CID 62030602
4-[(2-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide
CID 7780134
4-[(2-chlorophenyl)methoxy]-3-ethoxybenzoic acid
CID 4769645
4-[(2-chlorophenyl)methoxy]-3-ethoxybenzoyl chloride
CID 46779765
4-[2-(2-chlorophenoxy)ethoxy]-3-methylbenzoic acid
CID 107673991
4-[(2-chlorophenyl)methoxy]-N-(2-methoxyethyl)benzamide
CID 6462098
phenacyl 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate
CID 2454304
4-[(2-chlorophenyl)methoxy]-3-iodobenzohydrazide
CID 91682062
1-[2-[[4-[(Z)-N-[(2-chlorophenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]methyl]phenyl]-4-methyltetrazol-5-one
CID 172938052
4-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-3-methylbenzoic acid
CID 17059044
1-(3-bromo-4-ethoxyphenyl)-3-methoxypropan-1-one
CID 82051325

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-chlorophenyl)methoxy]-3-methylphenyl]-3-methoxypropan-1-one?
The IUPAC name of 1-[4-[(2-chlorophenyl)methoxy]-3-methylphenyl]-3-methoxypropan-1-one (CID 82051624) is 1-[4-[(2-chlorophenyl)methoxy]-3-methylphenyl]-3-methoxypropan-1-one.
What is the SMILES notation for 1-[4-[(2-chlorophenyl)methoxy]-3-methylphenyl]-3-methoxypropan-1-one?
The canonical SMILES for 1-[4-[(2-chlorophenyl)methoxy]-3-methylphenyl]-3-methoxypropan-1-one is COCCC(=O)c1ccc(OCc2ccccc2Cl)c(C)c1.
What is the InChIKey of 1-[4-[(2-chlorophenyl)methoxy]-3-methylphenyl]-3-methoxypropan-1-one?
The InChIKey is MLHUPMLEPQDMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO3/c1-13-11-14(17(20)9-10-21-2)7-8-18(13)22-12-15-5-3-4-6-16(15)19/h3-8,11H,9-10,12H2,1-2H3.
What are the key properties of 1-[4-[(2-chlorophenyl)methoxy]-3-methylphenyl]-3-methoxypropan-1-one?
1-[4-[(2-chlorophenyl)methoxy]-3-methylphenyl]-3-methoxypropan-1-one has a molecular weight of 318.80 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-chlorophenyl)methoxy]-3-methylphenyl]-3-methoxypropan-1-one is sourced from PubChem (CID 82051624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).