2-[(2-chloro-5-fluorophenyl)methyl]-2-phenylbutan-1-ol

C17H18ClFO — CID 102621164

IUPAC2-[(2-chloro-5-fluorophenyl)methyl]-2-phenylbutan-1-ol
SMILESCCC(CO)(Cc1cc(F)ccc1Cl)c1ccccc1
InChIInChI=1S/C17H18ClFO/c1-2-17(12-20,14-6-4-3-5-7-14)11-13-10-15(19)8-9-16(13)18/h3-10,20H,2,11-12H2,1H3
InChIKeyNZAYVUUWPKUJRU-UHFFFAOYSA-N
MW292.78 g/mol
LogP4.36
Rot. Bonds5

About 2-[(2-chloro-5-fluorophenyl)methyl]-2-phenylbutan-1-ol

2-[(2-chloro-5-fluorophenyl)methyl]-2-phenylbutan-1-ol (PubChem CID 102621164) has the molecular formula C17H18ClFO and a molecular weight of 292.78 g/mol. Its IUPAC name is 2-[(2-chloro-5-fluorophenyl)methyl]-2-phenylbutan-1-ol.

Molecular Properties

Compound Name2-[(2-chloro-5-fluorophenyl)methyl]-2-phenylbutan-1-ol
PubChem CID102621164
Molecular FormulaC17H18ClFO
Molecular Weight292.78 g/mol
Exact Mass292.10
IUPAC Name2-[(2-chloro-5-fluorophenyl)methyl]-2-phenylbutan-1-ol
SMILESCCC(CO)(Cc1cc(F)ccc1Cl)c1ccccc1
InChIInChI=1S/C17H18ClFO/c1-2-17(12-20,14-6-4-3-5-7-14)11-13-10-15(19)8-9-16(13)18/h3-10,20H,2,11-12H2,1H3
InChIKeyNZAYVUUWPKUJRU-UHFFFAOYSA-N
XLogP4.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.78
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(aminomethyl)-3-(2-chloro-5-fluorophenyl)-2-phenylpropan-1-ol
CID 106508157
2-[(2,5-dichlorophenyl)methyl]-2-phenylbutan-1-ol
CID 66058930
2-[3-bromo-2-(bromomethyl)-2-phenylpropyl]-1-chloro-4-fluorobenzene
CID 102621610
2-[(2-chloro-5-fluorophenyl)methyl]-2-(2-fluorophenyl)propane-1,3-diol
CID 102621542
2-[(2-chloro-4-fluorophenyl)methyl]-N-methyl-2-phenylbutan-1-amine
CID 63508129
2-[(2-bromophenyl)methyl]-2-phenylbutan-1-ol
CID 66059776
2-(4-chlorophenyl)-2-[(2,5-difluorophenyl)methyl]propane-1,3-diol
CID 79444445
2-[(2-chloro-5-fluorophenyl)methyl]-2-methylbutanoic acid
CID 102616919
2-(2-chlorophenyl)-2-[(5-fluoro-2-methylphenyl)methyl]propane-1,3-diol
CID 105376102
2-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylbutan-1-ol
CID 66059563
2-[(5-bromo-2-methoxyphenyl)methyl]-2-phenylbutan-1-ol
CID 66059989
1-chloro-2-[2-(chloromethyl)-2-ethylbutyl]-4-fluorobenzene
CID 102621280

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-fluorophenyl)methyl]-2-phenylbutan-1-ol?
The IUPAC name of 2-[(2-chloro-5-fluorophenyl)methyl]-2-phenylbutan-1-ol (CID 102621164) is 2-[(2-chloro-5-fluorophenyl)methyl]-2-phenylbutan-1-ol.
What is the SMILES notation for 2-[(2-chloro-5-fluorophenyl)methyl]-2-phenylbutan-1-ol?
The canonical SMILES for 2-[(2-chloro-5-fluorophenyl)methyl]-2-phenylbutan-1-ol is CCC(CO)(Cc1cc(F)ccc1Cl)c1ccccc1.
What is the InChIKey of 2-[(2-chloro-5-fluorophenyl)methyl]-2-phenylbutan-1-ol?
The InChIKey is NZAYVUUWPKUJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFO/c1-2-17(12-20,14-6-4-3-5-7-14)11-13-10-15(19)8-9-16(13)18/h3-10,20H,2,11-12H2,1H3.
What are the key properties of 2-[(2-chloro-5-fluorophenyl)methyl]-2-phenylbutan-1-ol?
2-[(2-chloro-5-fluorophenyl)methyl]-2-phenylbutan-1-ol has a molecular weight of 292.78 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-fluorophenyl)methyl]-2-phenylbutan-1-ol is sourced from PubChem (CID 102621164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).