3-(2-chloro-5-fluorophenyl)-1-ethoxy-1-phenylpropan-2-ol

C17H18ClFO2 — CID 102618300

IUPAC3-(2-chloro-5-fluorophenyl)-1-ethoxy-1-phenylpropan-2-ol
SMILESCCOC(c1ccccc1)C(O)Cc1cc(F)ccc1Cl
InChIInChI=1S/C17H18ClFO2/c1-2-21-17(12-6-4-3-5-7-12)16(20)11-13-10-14(19)8-9-15(13)18/h3-10,16-17,20H,2,11H2,1H3
InChIKeyDHGQZHIPTDIAGI-UHFFFAOYSA-N
MW308.78 g/mol
LogP4.16
Rot. Bonds6

About 3-(2-chloro-5-fluorophenyl)-1-ethoxy-1-phenylpropan-2-ol

3-(2-chloro-5-fluorophenyl)-1-ethoxy-1-phenylpropan-2-ol (PubChem CID 102618300) has the molecular formula C17H18ClFO2 and a molecular weight of 308.78 g/mol. Its IUPAC name is 3-(2-chloro-5-fluorophenyl)-1-ethoxy-1-phenylpropan-2-ol.

Molecular Properties

Compound Name3-(2-chloro-5-fluorophenyl)-1-ethoxy-1-phenylpropan-2-ol
PubChem CID102618300
Molecular FormulaC17H18ClFO2
Molecular Weight308.78 g/mol
Exact Mass308.10
IUPAC Name3-(2-chloro-5-fluorophenyl)-1-ethoxy-1-phenylpropan-2-ol
SMILESCCOC(c1ccccc1)C(O)Cc1cc(F)ccc1Cl
InChIInChI=1S/C17H18ClFO2/c1-2-21-17(12-6-4-3-5-7-12)16(20)11-13-10-14(19)8-9-15(13)18/h3-10,16-17,20H,2,11H2,1H3
InChIKeyDHGQZHIPTDIAGI-UHFFFAOYSA-N
XLogP4.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.78
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-difluorophenyl)-1-ethoxy-1-phenylpropan-2-ol
CID 116757101
3-(2,5-difluorophenyl)-1-methoxy-1-phenylpropan-2-ol
CID 116756862
3-(2-chloro-5-fluorophenyl)-1,1-difluoropropan-2-ol
CID 102618230
3-(2-chloro-5-fluorophenyl)-1,1-diethoxypropan-2-amine
CID 102619111
1-(2,5-difluorophenyl)-2-ethoxy-2-phenylethanol
CID 116757204
1-(2-chloro-5-fluorophenyl)-3,4-dimethylpentan-2-ol
CID 102623136
1-(2-chloro-5-fluorophenyl)-2-ethoxy-2-phenylethanone
CID 105394415
1-(2-chloro-5-fluorophenyl)-4-methylhexan-2-ol
CID 102623078
1-ethoxy-1-phenyl-3-pyridin-4-ylpropan-2-ol
CID 116757045
2-ethoxy-1-(3-fluoro-5-methylphenyl)-2-phenylethanol
CID 116757127
2-(2-chloro-5-fluorophenyl)-1-[3-(methoxymethyl)phenyl]ethanol
CID 102617340
2-ethoxy-1,2-diphenylethanol
CID 3767197

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-fluorophenyl)-1-ethoxy-1-phenylpropan-2-ol?
The IUPAC name of 3-(2-chloro-5-fluorophenyl)-1-ethoxy-1-phenylpropan-2-ol (CID 102618300) is 3-(2-chloro-5-fluorophenyl)-1-ethoxy-1-phenylpropan-2-ol.
What is the SMILES notation for 3-(2-chloro-5-fluorophenyl)-1-ethoxy-1-phenylpropan-2-ol?
The canonical SMILES for 3-(2-chloro-5-fluorophenyl)-1-ethoxy-1-phenylpropan-2-ol is CCOC(c1ccccc1)C(O)Cc1cc(F)ccc1Cl.
What is the InChIKey of 3-(2-chloro-5-fluorophenyl)-1-ethoxy-1-phenylpropan-2-ol?
The InChIKey is DHGQZHIPTDIAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFO2/c1-2-21-17(12-6-4-3-5-7-12)16(20)11-13-10-14(19)8-9-15(13)18/h3-10,16-17,20H,2,11H2,1H3.
What are the key properties of 3-(2-chloro-5-fluorophenyl)-1-ethoxy-1-phenylpropan-2-ol?
3-(2-chloro-5-fluorophenyl)-1-ethoxy-1-phenylpropan-2-ol has a molecular weight of 308.78 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-5-fluorophenyl)-1-ethoxy-1-phenylpropan-2-ol is sourced from PubChem (CID 102618300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).