1-[3-[(3-bromophenyl)methoxy]phenyl]propan-1-one

C16H15BrO2 — CID 114079103

IUPAC1-[3-[(3-bromophenyl)methoxy]phenyl]propan-1-one
SMILESCCC(=O)c1cccc(OCc2cccc(Br)c2)c1
InChIInChI=1S/C16H15BrO2/c1-2-16(18)13-6-4-8-15(10-13)19-11-12-5-3-7-14(17)9-12/h3-10H,2,11H2,1H3
InChIKeyUZNRSQRUKVBXED-UHFFFAOYSA-N
MW319.20 g/mol
LogP4.62
Rot. Bonds5

About 1-[3-[(3-bromophenyl)methoxy]phenyl]propan-1-one

1-[3-[(3-bromophenyl)methoxy]phenyl]propan-1-one (PubChem CID 114079103) has the molecular formula C16H15BrO2 and a molecular weight of 319.20 g/mol. Its IUPAC name is 1-[3-[(3-bromophenyl)methoxy]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[3-[(3-bromophenyl)methoxy]phenyl]propan-1-one
PubChem CID114079103
Molecular FormulaC16H15BrO2
Molecular Weight319.20 g/mol
Exact Mass318.03
IUPAC Name1-[3-[(3-bromophenyl)methoxy]phenyl]propan-1-one
SMILESCCC(=O)c1cccc(OCc2cccc(Br)c2)c1
InChIInChI=1S/C16H15BrO2/c1-2-16(18)13-6-4-8-15(10-13)19-11-12-5-3-7-14(17)9-12/h3-10H,2,11H2,1H3
InChIKeyUZNRSQRUKVBXED-UHFFFAOYSA-N
XLogP4.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[(3-aminophenyl)methoxy]phenyl]propan-1-one
CID 174428034
1-(3-bromophenyl)propan-1-one;ethane
CID 145351715
1-bromo-3-[(3-ethylphenoxy)methyl]benzene
CID 60645294
4-[(3-bromophenyl)methoxy]benzamide
CID 26051380
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
3-methyl-1-(3-phenylmethoxyphenyl)pentan-1-one
CID 105091669
3-bromo-5-[(3-methoxyphenyl)methoxy]benzoic acid
CID 102823525
1-bromo-3-[(4-propoxyphenoxy)methyl]benzene
CID 60645272
2-amino-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride
CID 71464250
3-bromo-N-tert-butyl-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 42706185
2-(methylamino)-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride
CID 70190872
4-[(3-bromophenyl)methoxy]-2-fluorobenzoic acid
CID 113437320

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-bromophenyl)methoxy]phenyl]propan-1-one?
The IUPAC name of 1-[3-[(3-bromophenyl)methoxy]phenyl]propan-1-one (CID 114079103) is 1-[3-[(3-bromophenyl)methoxy]phenyl]propan-1-one.
What is the SMILES notation for 1-[3-[(3-bromophenyl)methoxy]phenyl]propan-1-one?
The canonical SMILES for 1-[3-[(3-bromophenyl)methoxy]phenyl]propan-1-one is CCC(=O)c1cccc(OCc2cccc(Br)c2)c1.
What is the InChIKey of 1-[3-[(3-bromophenyl)methoxy]phenyl]propan-1-one?
The InChIKey is UZNRSQRUKVBXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO2/c1-2-16(18)13-6-4-8-15(10-13)19-11-12-5-3-7-14(17)9-12/h3-10H,2,11H2,1H3.
What are the key properties of 1-[3-[(3-bromophenyl)methoxy]phenyl]propan-1-one?
1-[3-[(3-bromophenyl)methoxy]phenyl]propan-1-one has a molecular weight of 319.20 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-bromophenyl)methoxy]phenyl]propan-1-one is sourced from PubChem (CID 114079103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).