1-[4-[3-(4-chlorophenoxy)-2-hydroxypropoxy]phenyl]ethanone

C17H17ClO4 — CID 11255678

IUPAC1-[4-[3-(4-chlorophenoxy)-2-hydroxypropoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCC(O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H17ClO4/c1-12(19)13-2-6-16(7-3-13)21-10-15(20)11-22-17-8-4-14(18)5-9-17/h2-9,15,20H,10-11H2,1H3
InChIKeyJWXMVIOOFLGOKN-UHFFFAOYSA-N
MW320.77 g/mol
LogP3.36
Rot. Bonds7

About 1-[4-[3-(4-chlorophenoxy)-2-hydroxypropoxy]phenyl]ethanone

1-[4-[3-(4-chlorophenoxy)-2-hydroxypropoxy]phenyl]ethanone (PubChem CID 11255678) has the molecular formula C17H17ClO4 and a molecular weight of 320.77 g/mol. Its IUPAC name is 1-[4-[3-(4-chlorophenoxy)-2-hydroxypropoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(4-chlorophenoxy)-2-hydroxypropoxy]phenyl]ethanone
PubChem CID11255678
Molecular FormulaC17H17ClO4
Molecular Weight320.77 g/mol
Exact Mass320.08
IUPAC Name1-[4-[3-(4-chlorophenoxy)-2-hydroxypropoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCC(O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H17ClO4/c1-12(19)13-2-6-16(7-3-13)21-10-15(20)11-22-17-8-4-14(18)5-9-17/h2-9,15,20H,10-11H2,1H3
InChIKeyJWXMVIOOFLGOKN-UHFFFAOYSA-N
XLogP3.36
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.77
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[3-(4-chlorophenoxy)-2-hydroxypropoxy]phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(2-methylpropoxy)phenyl]ethanone
CID 2063678
(4-chlorophenyl)-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methanone
CID 70524382
(2S)-1-amino-3-(4-chlorophenoxy)propan-2-ol
CID 2049238
1-(4-chlorophenoxy)-5-methylhex-5-en-2-ol
CID 105127338
1-[4-[3-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-2-hydroxypropoxy]phenyl]ethanone
CID 51223145
1-[4-[2-(4-chlorophenoxy)ethylamino]phenyl]ethanone
CID 82095847
1-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]ethanone;hydrochloride
CID 16806994
1-[4-[3-(4-ethylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]ethanone
CID 4227652
[3-(4-chlorophenoxy)-2-hydroxypropyl]-propan-2-ylazanium
CID 4751881
[3-(4-chlorophenoxy)-2-hydroxypropyl]urea
CID 14685227
1-[4-[3-(dibenzylamino)-2-hydroxypropoxy]phenyl]ethanone
CID 55361614
1-[4-[3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone;hydrochloride
CID 2966544

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-chlorophenoxy)-2-hydroxypropoxy]phenyl]ethanone?
The IUPAC name of 1-[4-[3-(4-chlorophenoxy)-2-hydroxypropoxy]phenyl]ethanone (CID 11255678) is 1-[4-[3-(4-chlorophenoxy)-2-hydroxypropoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-[3-(4-chlorophenoxy)-2-hydroxypropoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-[3-(4-chlorophenoxy)-2-hydroxypropoxy]phenyl]ethanone is CC(=O)c1ccc(OCC(O)COc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[4-[3-(4-chlorophenoxy)-2-hydroxypropoxy]phenyl]ethanone?
The InChIKey is JWXMVIOOFLGOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO4/c1-12(19)13-2-6-16(7-3-13)21-10-15(20)11-22-17-8-4-14(18)5-9-17/h2-9,15,20H,10-11H2,1H3.
What are the key properties of 1-[4-[3-(4-chlorophenoxy)-2-hydroxypropoxy]phenyl]ethanone?
1-[4-[3-(4-chlorophenoxy)-2-hydroxypropoxy]phenyl]ethanone has a molecular weight of 320.77 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(4-chlorophenoxy)-2-hydroxypropoxy]phenyl]ethanone is sourced from PubChem (CID 11255678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).