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

C16H16ClFO — CID 105397604

IUPAC1-(2-chloro-5-fluorophenyl)-3-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(CCC(O)c2cc(F)ccc2Cl)c1
InChIInChI=1S/C16H16ClFO/c1-11-3-2-4-12(9-11)5-8-16(19)14-10-13(18)6-7-15(14)17/h2-4,6-7,9-10,16,19H,5,8H2,1H3
InChIKeyHENLFFZEQLAKCL-UHFFFAOYSA-N
MW278.75 g/mol
LogP4.45
Rot. Bonds4

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

1-(2-chloro-5-fluorophenyl)-3-(3-methylphenyl)propan-1-ol (PubChem CID 105397604) has the molecular formula C16H16ClFO and a molecular weight of 278.75 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-3-(3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-3-(3-methylphenyl)propan-1-ol
PubChem CID105397604
Molecular FormulaC16H16ClFO
Molecular Weight278.75 g/mol
Exact Mass278.09
IUPAC Name1-(2-chloro-5-fluorophenyl)-3-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(CCC(O)c2cc(F)ccc2Cl)c1
InChIInChI=1S/C16H16ClFO/c1-11-3-2-4-12(9-11)5-8-16(19)14-10-13(18)6-7-15(14)17/h2-4,6-7,9-10,16,19H,5,8H2,1H3
InChIKeyHENLFFZEQLAKCL-UHFFFAOYSA-N
XLogP4.45
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 ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluoro-2-methylphenyl)-3-(3-methylphenyl)propan-1-ol
CID 105093937
1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)propan-1-ol
CID 105121012
1-(2-chloro-5-fluorophenyl)-3-methoxypropan-1-ol
CID 105394437
1,3-bis(3-methylphenyl)propan-1-ol
CID 105077889
1-(2-chloro-4-fluorophenyl)-4-(3-methylphenyl)butan-2-amine
CID 105133510
1-(3,4-difluorophenyl)-3-(3-methylphenyl)propan-1-ol
CID 105096422
1-(2-amino-5-fluorophenyl)-2-(3-methylphenyl)ethanol
CID 82684970
1-(2-chloro-5-fluorophenyl)-2-(2-methylphenyl)ethanol
CID 105394441
1-(2-chloro-4-fluorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 105133367
1-(2-chloro-5-fluorophenyl)propan-1-ol
CID 105393866
1-(2-bromo-5-fluorophenyl)-4-(3-methylphenyl)butan-2-ol
CID 105088452
1-(2,4-difluorophenyl)-2-[2-(3-methylphenyl)ethylamino]ethanol
CID 62315194

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-(3-methylphenyl)propan-1-ol?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-(3-methylphenyl)propan-1-ol (CID 105397604) is 1-(2-chloro-5-fluorophenyl)-3-(3-methylphenyl)propan-1-ol.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-3-(3-methylphenyl)propan-1-ol?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-3-(3-methylphenyl)propan-1-ol is Cc1cccc(CCC(O)c2cc(F)ccc2Cl)c1.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-3-(3-methylphenyl)propan-1-ol?
The InChIKey is HENLFFZEQLAKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO/c1-11-3-2-4-12(9-11)5-8-16(19)14-10-13(18)6-7-15(14)17/h2-4,6-7,9-10,16,19H,5,8H2,1H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-3-(3-methylphenyl)propan-1-ol?
1-(2-chloro-5-fluorophenyl)-3-(3-methylphenyl)propan-1-ol has a molecular weight of 278.75 g/mol, XLogP of 4.45, 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-(3-methylphenyl)propan-1-ol is sourced from PubChem (CID 105397604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).