1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propan-2-one

C16H14Cl2O2 — CID 115495361

IUPAC1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H14Cl2O2/c1-11(19)8-12-2-5-14(6-3-12)20-10-13-4-7-15(17)16(18)9-13/h2-7,9H,8,10H2,1H3
InChIKeyLFYSBUDPDOZPSB-UHFFFAOYSA-N
MW309.19 g/mol
LogP4.70
Rot. Bonds5

About 1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propan-2-one

1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propan-2-one (PubChem CID 115495361) has the molecular formula C16H14Cl2O2 and a molecular weight of 309.19 g/mol. Its IUPAC name is 1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propan-2-one
PubChem CID115495361
Molecular FormulaC16H14Cl2O2
Molecular Weight309.19 g/mol
Exact Mass308.04
IUPAC Name1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H14Cl2O2/c1-11(19)8-12-2-5-14(6-3-12)20-10-13-4-7-15(17)16(18)9-13/h2-7,9H,8,10H2,1H3
InChIKeyLFYSBUDPDOZPSB-UHFFFAOYSA-N
XLogP4.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(4-chlorophenyl)methoxy]phenyl]propan-2-one
CID 13065274
4-[(3,4-dichlorophenyl)methoxy]benzoic acid
CID 2764449
3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propanoic acid
CID 82051730
1,2-dichloro-4-[[4-(chloromethyl)phenoxy]methyl]benzene
CID 22280207
1-[4-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-one
CID 105403559
[4-[(3,4-dichlorophenyl)methoxy]phenyl]methanamine
CID 22687493
methyl (2S)-2-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propanoate
CID 163934815
4-[[4-(2-oxopropyl)phenoxy]methyl]benzoic acid
CID 115493805
3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enoyl chloride
CID 131847801
2-(4-chlorophenoxy)-1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]ethanone
CID 2801382
methyl 2,3-bis[4-[(3,4-dichlorophenyl)methoxy]phenyl]-2,3,4-trihydroxybutanoate
CID 66719351
4-[4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]butan-2-one
CID 107881269

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propan-2-one?
The IUPAC name of 1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propan-2-one (CID 115495361) is 1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propan-2-one.
What is the SMILES notation for 1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propan-2-one?
The canonical SMILES for 1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propan-2-one is CC(=O)Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propan-2-one?
The InChIKey is LFYSBUDPDOZPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O2/c1-11(19)8-12-2-5-14(6-3-12)20-10-13-4-7-15(17)16(18)9-13/h2-7,9H,8,10H2,1H3.
What are the key properties of 1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propan-2-one?
1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propan-2-one has a molecular weight of 309.19 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propan-2-one is sourced from PubChem (CID 115495361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).