1-(2-chloro-5-fluorophenyl)-3-(4-methylphenyl)propan-2-ol

C16H16ClFO — CID 102617916

IUPAC1-(2-chloro-5-fluorophenyl)-3-(4-methylphenyl)propan-2-ol
SMILESCc1ccc(CC(O)Cc2cc(F)ccc2Cl)cc1
InChIInChI=1S/C16H16ClFO/c1-11-2-4-12(5-3-11)8-15(19)10-13-9-14(18)6-7-16(13)17/h2-7,9,15,19H,8,10H2,1H3
InChIKeyUAVCPWMTMSTLPZ-UHFFFAOYSA-N
MW278.75 g/mol
LogP3.93
Rot. Bonds4

About 1-(2-chloro-5-fluorophenyl)-3-(4-methylphenyl)propan-2-ol

1-(2-chloro-5-fluorophenyl)-3-(4-methylphenyl)propan-2-ol (PubChem CID 102617916) has the molecular formula C16H16ClFO and a molecular weight of 278.75 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-3-(4-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-3-(4-methylphenyl)propan-2-ol
PubChem CID102617916
Molecular FormulaC16H16ClFO
Molecular Weight278.75 g/mol
Exact Mass278.09
IUPAC Name1-(2-chloro-5-fluorophenyl)-3-(4-methylphenyl)propan-2-ol
SMILESCc1ccc(CC(O)Cc2cc(F)ccc2Cl)cc1
InChIInChI=1S/C16H16ClFO/c1-11-2-4-12(5-3-11)8-15(19)10-13-9-14(18)6-7-16(13)17/h2-7,9,15,19H,8,10H2,1H3
InChIKeyUAVCPWMTMSTLPZ-UHFFFAOYSA-N
XLogP3.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.75
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-methylphenyl)-3-(4-fluorophenyl)propan-2-ol
CID 106867250
1-(4-fluorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 60797629
1-(3,4-dichlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-ol
CID 114347424
1-(3-chloro-2-fluorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 82803292
1-(2-chloro-4-fluorophenyl)-3-(4-chloro-3-fluorophenyl)propan-2-ol
CID 107884225
1-(2-chloro-5-fluorophenyl)-4-methylhexan-2-ol
CID 102623078
1-(2-bromo-4-fluorophenyl)-3-(3,4-dichlorophenyl)propan-2-ol
CID 63410897
1-(2,5-dichlorophenyl)-3-(3,4-dimethylphenyl)propan-2-ol
CID 65321613
1-(4-chlorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 60798023
1-(2,5-dichlorophenyl)-3-(3,5-difluorophenyl)propan-2-ol
CID 65321219
3-(2-chloro-5-fluorophenyl)-2-(4-methylphenyl)propan-1-amine
CID 102619951
1-(2-bromo-5-fluorophenyl)-3-(4-fluorophenyl)propan-2-ol
CID 62608381

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-(4-methylphenyl)propan-2-ol?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-(4-methylphenyl)propan-2-ol (CID 102617916) is 1-(2-chloro-5-fluorophenyl)-3-(4-methylphenyl)propan-2-ol.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-3-(4-methylphenyl)propan-2-ol?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-3-(4-methylphenyl)propan-2-ol is Cc1ccc(CC(O)Cc2cc(F)ccc2Cl)cc1.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-3-(4-methylphenyl)propan-2-ol?
The InChIKey is UAVCPWMTMSTLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO/c1-11-2-4-12(5-3-11)8-15(19)10-13-9-14(18)6-7-16(13)17/h2-7,9,15,19H,8,10H2,1H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-3-(4-methylphenyl)propan-2-ol?
1-(2-chloro-5-fluorophenyl)-3-(4-methylphenyl)propan-2-ol has a molecular weight of 278.75 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-3-(4-methylphenyl)propan-2-ol is sourced from PubChem (CID 102617916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).