3-chloro-1-(3-fluoro-5-methylphenyl)-1-phenylpropan-1-ol

C16H16ClFO — CID 116696426

IUPAC3-chloro-1-(3-fluoro-5-methylphenyl)-1-phenylpropan-1-ol
SMILESCc1cc(F)cc(C(O)(CCCl)c2ccccc2)c1
InChIInChI=1S/C16H16ClFO/c1-12-9-14(11-15(18)10-12)16(19,7-8-17)13-5-3-2-4-6-13/h2-6,9-11,19H,7-8H2,1H3
InChIKeySHJMAKGEXNIBFA-UHFFFAOYSA-N
MW278.75 g/mol
LogP4.00
Rot. Bonds4

About 3-chloro-1-(3-fluoro-5-methylphenyl)-1-phenylpropan-1-ol

3-chloro-1-(3-fluoro-5-methylphenyl)-1-phenylpropan-1-ol (PubChem CID 116696426) has the molecular formula C16H16ClFO and a molecular weight of 278.75 g/mol. Its IUPAC name is 3-chloro-1-(3-fluoro-5-methylphenyl)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-chloro-1-(3-fluoro-5-methylphenyl)-1-phenylpropan-1-ol
PubChem CID116696426
Molecular FormulaC16H16ClFO
Molecular Weight278.75 g/mol
Exact Mass278.09
IUPAC Name3-chloro-1-(3-fluoro-5-methylphenyl)-1-phenylpropan-1-ol
SMILESCc1cc(F)cc(C(O)(CCCl)c2ccccc2)c1
InChIInChI=1S/C16H16ClFO/c1-12-9-14(11-15(18)10-12)16(19,7-8-17)13-5-3-2-4-6-13/h2-6,9-11,19H,7-8H2,1H3
InChIKeySHJMAKGEXNIBFA-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-1-phenyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 116696177
3-chloro-1-(3-methoxyphenyl)-1-phenylpropan-1-ol
CID 116696320
1-(5-fluoro-3-pyridinyl)-1-phenylbutan-1-ol
CID 54966036
3-chloro-1-(5-methyl-1-benzofuran-2-yl)-1-phenylpropan-1-ol
CID 114724921
1-amino-3-chloro-1-phenylpropan-1-ol
CID 175404294
1-amino-2-(3-fluoro-5-methylphenyl)propan-2-ol
CID 79704426
3-chloro-1-(2,5-dichlorophenyl)-1-phenylpropan-1-ol
CID 116696329
2-(3-fluoro-5-methylphenyl)-1-phenylbutan-2-amine
CID 79703833
1-(3-fluoro-5-methylphenyl)-1-(2-fluorophenyl)ethanol
CID 79692201
3-chloro-1-naphthalen-1-yl-1-phenylpropan-1-ol
CID 116696421
1-(ethylamino)-2-(3-fluoro-5-methylphenyl)propan-2-ol
CID 79704574
2-(3-fluoro-5-methylphenyl)-1-(4-fluorophenyl)propan-2-ol
CID 114832963

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(3-fluoro-5-methylphenyl)-1-phenylpropan-1-ol?
The IUPAC name of 3-chloro-1-(3-fluoro-5-methylphenyl)-1-phenylpropan-1-ol (CID 116696426) is 3-chloro-1-(3-fluoro-5-methylphenyl)-1-phenylpropan-1-ol.
What is the SMILES notation for 3-chloro-1-(3-fluoro-5-methylphenyl)-1-phenylpropan-1-ol?
The canonical SMILES for 3-chloro-1-(3-fluoro-5-methylphenyl)-1-phenylpropan-1-ol is Cc1cc(F)cc(C(O)(CCCl)c2ccccc2)c1.
What is the InChIKey of 3-chloro-1-(3-fluoro-5-methylphenyl)-1-phenylpropan-1-ol?
The InChIKey is SHJMAKGEXNIBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO/c1-12-9-14(11-15(18)10-12)16(19,7-8-17)13-5-3-2-4-6-13/h2-6,9-11,19H,7-8H2,1H3.
What are the key properties of 3-chloro-1-(3-fluoro-5-methylphenyl)-1-phenylpropan-1-ol?
3-chloro-1-(3-fluoro-5-methylphenyl)-1-phenylpropan-1-ol has a molecular weight of 278.75 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(3-fluoro-5-methylphenyl)-1-phenylpropan-1-ol is sourced from PubChem (CID 116696426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).