2-[(2,3-dichlorophenyl)methyl]-2-(3-fluorophenyl)propane-1,3-diol

C16H15Cl2FO2 — CID 107310874

IUPAC2-[(2,3-dichlorophenyl)methyl]-2-(3-fluorophenyl)propane-1,3-diol
SMILESOCC(CO)(Cc1cccc(Cl)c1Cl)c1cccc(F)c1
InChIInChI=1S/C16H15Cl2FO2/c17-14-6-1-3-11(15(14)18)8-16(9-20,10-21)12-4-2-5-13(19)7-12/h1-7,20-21H,8-10H2
InChIKeyJWGMUWGJJOZLDN-UHFFFAOYSA-N
MW329.20 g/mol
LogP3.60
Rot. Bonds5

About 2-[(2,3-dichlorophenyl)methyl]-2-(3-fluorophenyl)propane-1,3-diol

2-[(2,3-dichlorophenyl)methyl]-2-(3-fluorophenyl)propane-1,3-diol (PubChem CID 107310874) has the molecular formula C16H15Cl2FO2 and a molecular weight of 329.20 g/mol. Its IUPAC name is 2-[(2,3-dichlorophenyl)methyl]-2-(3-fluorophenyl)propane-1,3-diol.

Molecular Properties

Compound Name2-[(2,3-dichlorophenyl)methyl]-2-(3-fluorophenyl)propane-1,3-diol
PubChem CID107310874
Molecular FormulaC16H15Cl2FO2
Molecular Weight329.20 g/mol
Exact Mass328.04
IUPAC Name2-[(2,3-dichlorophenyl)methyl]-2-(3-fluorophenyl)propane-1,3-diol
SMILESOCC(CO)(Cc1cccc(Cl)c1Cl)c1cccc(F)c1
InChIInChI=1S/C16H15Cl2FO2/c17-14-6-1-3-11(15(14)18)8-16(9-20,10-21)12-4-2-5-13(19)7-12/h1-7,20-21H,8-10H2
InChIKeyJWGMUWGJJOZLDN-UHFFFAOYSA-N
XLogP3.60
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-bromo-4-fluorophenyl)methyl]-2-(3-fluorophenyl)propane-1,3-diol
CID 79445085
2-(2-bromophenyl)-2-[(2,3-dichlorophenyl)methyl]propane-1,3-diol
CID 107310880
2-(aminomethyl)-3-(2-bromophenyl)-2-(3-fluorophenyl)propan-1-ol
CID 106507116
2-(aminomethyl)-3-(4-chlorophenyl)-2-(3-fluorophenyl)propan-1-ol
CID 106507025
1-[3-chloro-2-(chloromethyl)-2-(3-fluorophenyl)propyl]-2-methylbenzene
CID 79453063
2-[(2-chloro-5-fluorophenyl)methyl]-2-phenylbutan-1-ol
CID 102621164
1-[3-bromo-2-(bromomethyl)-2-(3-fluorophenyl)propyl]-4-chloro-2-fluorobenzene
CID 114862293
1-(2-chlorophenyl)-2-(3-fluorophenyl)butan-2-amine
CID 114872708
1,2-dichloro-3-(2,2-dichloro-2-phenylethyl)benzene
CID 99118733
2-(4-chlorophenyl)-2-[(2,5-difluorophenyl)methyl]propane-1,3-diol
CID 79444445
2-(aminomethyl)-3-(2-chloro-5-fluorophenyl)-2-phenylpropan-1-ol
CID 106508157
2-(3-fluorophenyl)-2-[(3-methoxyphenyl)methyl]propane-1,3-diol
CID 79445073

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dichlorophenyl)methyl]-2-(3-fluorophenyl)propane-1,3-diol?
The IUPAC name of 2-[(2,3-dichlorophenyl)methyl]-2-(3-fluorophenyl)propane-1,3-diol (CID 107310874) is 2-[(2,3-dichlorophenyl)methyl]-2-(3-fluorophenyl)propane-1,3-diol.
What is the SMILES notation for 2-[(2,3-dichlorophenyl)methyl]-2-(3-fluorophenyl)propane-1,3-diol?
The canonical SMILES for 2-[(2,3-dichlorophenyl)methyl]-2-(3-fluorophenyl)propane-1,3-diol is OCC(CO)(Cc1cccc(Cl)c1Cl)c1cccc(F)c1.
What is the InChIKey of 2-[(2,3-dichlorophenyl)methyl]-2-(3-fluorophenyl)propane-1,3-diol?
The InChIKey is JWGMUWGJJOZLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2FO2/c17-14-6-1-3-11(15(14)18)8-16(9-20,10-21)12-4-2-5-13(19)7-12/h1-7,20-21H,8-10H2.
What are the key properties of 2-[(2,3-dichlorophenyl)methyl]-2-(3-fluorophenyl)propane-1,3-diol?
2-[(2,3-dichlorophenyl)methyl]-2-(3-fluorophenyl)propane-1,3-diol has a molecular weight of 329.20 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dichlorophenyl)methyl]-2-(3-fluorophenyl)propane-1,3-diol is sourced from PubChem (CID 107310874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).