1-[3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropoxy]phenyl]ethanone

C18H19ClO4 — CID 109414078

IUPAC1-[3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropoxy]phenyl]ethanone
SMILESCC(=O)c1cccc(OCC(O)COCc2ccccc2Cl)c1
InChIInChI=1S/C18H19ClO4/c1-13(20)14-6-4-7-17(9-14)23-12-16(21)11-22-10-15-5-2-3-8-18(15)19/h2-9,16,21H,10-12H2,1H3
InChIKeyAGOBNBHRLJAKOL-UHFFFAOYSA-N
MW334.80 g/mol
LogP3.50
Rot. Bonds8

About 1-[3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropoxy]phenyl]ethanone

1-[3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropoxy]phenyl]ethanone (PubChem CID 109414078) has the molecular formula C18H19ClO4 and a molecular weight of 334.80 g/mol. Its IUPAC name is 1-[3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropoxy]phenyl]ethanone
PubChem CID109414078
Molecular FormulaC18H19ClO4
Molecular Weight334.80 g/mol
Exact Mass334.10
IUPAC Name1-[3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropoxy]phenyl]ethanone
SMILESCC(=O)c1cccc(OCC(O)COCc2ccccc2Cl)c1
InChIInChI=1S/C18H19ClO4/c1-13(20)14-6-4-7-17(9-14)23-12-16(21)11-22-10-15-5-2-3-8-18(15)19/h2-9,16,21H,10-12H2,1H3
InChIKeyAGOBNBHRLJAKOL-UHFFFAOYSA-N
XLogP3.50
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[3-(diethylamino)-2-hydroxypropoxy]phenyl]ethanone
CID 110877527
3-[(2-chlorophenyl)methoxy]-N,N-dimethylbenzamide
CID 13176467
1-[(2-chlorophenyl)methoxy]-3-(2-fluoro-6-methoxyphenoxy)propan-2-ol
CID 109416037
1-[3-[(2-methylphenyl)methoxy]phenyl]ethanone
CID 765227
1-[3-(2-ethylbutoxy)phenyl]ethanone
CID 82927221
1-[(2-chlorophenyl)methoxy]-3-(5,6-dimethylpyridazin-3-yl)oxypropan-2-ol
CID 111436524
[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate
CID 8735586
1-[3-[(2S)-3-(4-chloropyrazol-1-yl)-2-hydroxypropoxy]phenyl]ethanone
CID 97327179
[(2R)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-di(propan-2-yl)azanium
CID 7830770
1-[3-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanone
CID 112549927
1-[3-[(2-chlorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanone
CID 83952238
1-[3-(chloromethoxy)phenyl]ethanone
CID 79531382

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropoxy]phenyl]ethanone?
The IUPAC name of 1-[3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropoxy]phenyl]ethanone (CID 109414078) is 1-[3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropoxy]phenyl]ethanone.
What is the SMILES notation for 1-[3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropoxy]phenyl]ethanone?
The canonical SMILES for 1-[3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropoxy]phenyl]ethanone is CC(=O)c1cccc(OCC(O)COCc2ccccc2Cl)c1.
What is the InChIKey of 1-[3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropoxy]phenyl]ethanone?
The InChIKey is AGOBNBHRLJAKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO4/c1-13(20)14-6-4-7-17(9-14)23-12-16(21)11-22-10-15-5-2-3-8-18(15)19/h2-9,16,21H,10-12H2,1H3.
What are the key properties of 1-[3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropoxy]phenyl]ethanone?
1-[3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropoxy]phenyl]ethanone has a molecular weight of 334.80 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropoxy]phenyl]ethanone is sourced from PubChem (CID 109414078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).