3-(5-fluoro-2-methylphenyl)-2-(3-methylphenyl)propan-1-ol

C17H19FO — CID 105375965

IUPAC3-(5-fluoro-2-methylphenyl)-2-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(C(CO)Cc2cc(F)ccc2C)c1
InChIInChI=1S/C17H19FO/c1-12-4-3-5-14(8-12)16(11-19)9-15-10-17(18)7-6-13(15)2/h3-8,10,16,19H,9,11H2,1-2H3
InChIKeyIFGNEDHBCQYQFJ-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.76
Rot. Bonds4

About 3-(5-fluoro-2-methylphenyl)-2-(3-methylphenyl)propan-1-ol

3-(5-fluoro-2-methylphenyl)-2-(3-methylphenyl)propan-1-ol (PubChem CID 105375965) has the molecular formula C17H19FO and a molecular weight of 258.34 g/mol. Its IUPAC name is 3-(5-fluoro-2-methylphenyl)-2-(3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(5-fluoro-2-methylphenyl)-2-(3-methylphenyl)propan-1-ol
PubChem CID105375965
Molecular FormulaC17H19FO
Molecular Weight258.34 g/mol
Exact Mass258.14
IUPAC Name3-(5-fluoro-2-methylphenyl)-2-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(C(CO)Cc2cc(F)ccc2C)c1
InChIInChI=1S/C17H19FO/c1-12-4-3-5-14(8-12)16(11-19)9-15-10-17(18)7-6-13(15)2/h3-8,10,16,19H,9,11H2,1-2H3
InChIKeyIFGNEDHBCQYQFJ-UHFFFAOYSA-N
XLogP3.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(5-fluoro-2-methylphenyl)-2-(3-fluorophenyl)propan-1-ol
CID 105375972
3-(2,4-difluorophenyl)-2-(3-methylphenyl)propan-1-ol
CID 79417400
2-(3-bromophenyl)-3-(4-fluoro-2-methylphenyl)propan-1-ol
CID 114349841
2-(3-chlorophenyl)-3-(5-fluoro-2-methylphenyl)propan-1-amine
CID 105375007
3-(2,4-difluorophenyl)-2-(3-fluorophenyl)propan-1-ol
CID 79430276
3-(4-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-ol
CID 114349840
3-(2-bromo-5-fluorophenyl)-2-(3-methylphenyl)propan-1-amine
CID 79416738
3-(2-bromo-5-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79416745
3-(3-fluorophenoxy)-2-(3-methylphenyl)propan-1-ol
CID 117243039
1-[1-chloro-3-(2-methylphenyl)propan-2-yl]-3-methylbenzene
CID 79416670
(2S)-3-amino-2-(3-methylphenyl)propan-1-ol
CID 86327369
3-amino-2-(3-methylphenyl)propan-1-ol
CID 46911824

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methylphenyl)-2-(3-methylphenyl)propan-1-ol?
The IUPAC name of 3-(5-fluoro-2-methylphenyl)-2-(3-methylphenyl)propan-1-ol (CID 105375965) is 3-(5-fluoro-2-methylphenyl)-2-(3-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-(5-fluoro-2-methylphenyl)-2-(3-methylphenyl)propan-1-ol?
The canonical SMILES for 3-(5-fluoro-2-methylphenyl)-2-(3-methylphenyl)propan-1-ol is Cc1cccc(C(CO)Cc2cc(F)ccc2C)c1.
What is the InChIKey of 3-(5-fluoro-2-methylphenyl)-2-(3-methylphenyl)propan-1-ol?
The InChIKey is IFGNEDHBCQYQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO/c1-12-4-3-5-14(8-12)16(11-19)9-15-10-17(18)7-6-13(15)2/h3-8,10,16,19H,9,11H2,1-2H3.
What are the key properties of 3-(5-fluoro-2-methylphenyl)-2-(3-methylphenyl)propan-1-ol?
3-(5-fluoro-2-methylphenyl)-2-(3-methylphenyl)propan-1-ol has a molecular weight of 258.34 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-methylphenyl)-2-(3-methylphenyl)propan-1-ol is sourced from PubChem (CID 105375965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).