2-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)propan-1-ol

C16H15Cl2FO — CID 66059249

IUPAC2-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)propan-1-ol
SMILESOCC(Cc1ccc(F)cc1)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H15Cl2FO/c17-14-3-6-16(18)13(9-14)8-12(10-20)7-11-1-4-15(19)5-2-11/h1-6,9,12,20H,7-8,10H2
InChIKeyGUISSNOZRRLMEC-UHFFFAOYSA-N
MW313.20 g/mol
LogP4.53
Rot. Bonds5

About 2-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)propan-1-ol

2-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)propan-1-ol (PubChem CID 66059249) has the molecular formula C16H15Cl2FO and a molecular weight of 313.20 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)propan-1-ol
PubChem CID66059249
Molecular FormulaC16H15Cl2FO
Molecular Weight313.20 g/mol
Exact Mass312.05
IUPAC Name2-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)propan-1-ol
SMILESOCC(Cc1ccc(F)cc1)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H15Cl2FO/c17-14-3-6-16(18)13(9-14)8-12(10-20)7-11-1-4-15(19)5-2-11/h1-6,9,12,20H,7-8,10H2
InChIKeyGUISSNOZRRLMEC-UHFFFAOYSA-N
XLogP4.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)-N-methylpropan-1-amine
CID 65318235
2-[(5-chloro-2-fluorophenyl)methyl]-3-(4-methylphenyl)propan-1-ol
CID 103051196
2-[2-(bromomethyl)-3-(4-fluorophenyl)propyl]-1-chloro-4-fluorobenzene
CID 102621383
2-[(3-chloro-4-fluorophenyl)methyl]-3-(4-chlorophenyl)propan-1-ol
CID 103041980
2-[(2-chloro-5-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
CID 102621201
2-benzyl-3-(2-chloro-4-fluorophenyl)propan-1-ol
CID 66058724
2-[2-(bromomethyl)-3-(4-methylphenyl)propyl]-1,4-dichlorobenzene
CID 66042274
2-[(5-chloro-2-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
CID 103051205
2-[(2-chloro-5-fluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-ol
CID 102621217
1-(2,5-dichlorophenyl)-3-(3,5-difluorophenyl)propan-2-ol
CID 65321219
2-[2-[(4-bromophenyl)methyl]-3-chloropropyl]-1-chloro-4-fluorobenzene
CID 102621311
2-[(5-chloro-2-methoxyphenyl)methyl]-3-(4-fluorophenyl)propan-1-amine
CID 62530368

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)propan-1-ol?
The IUPAC name of 2-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)propan-1-ol (CID 66059249) is 2-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)propan-1-ol.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)propan-1-ol?
The canonical SMILES for 2-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)propan-1-ol is OCC(Cc1ccc(F)cc1)Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)propan-1-ol?
The InChIKey is GUISSNOZRRLMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2FO/c17-14-3-6-16(18)13(9-14)8-12(10-20)7-11-1-4-15(19)5-2-11/h1-6,9,12,20H,7-8,10H2.
What are the key properties of 2-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)propan-1-ol?
2-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)propan-1-ol has a molecular weight of 313.20 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)propan-1-ol is sourced from PubChem (CID 66059249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).