1-(4-fluoro-2-methylphenyl)-3-(3-methylphenyl)propan-1-ol

C17H19FO — CID 105093937

IUPAC1-(4-fluoro-2-methylphenyl)-3-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(CCC(O)c2ccc(F)cc2C)c1
InChIInChI=1S/C17H19FO/c1-12-4-3-5-14(10-12)6-9-17(19)16-8-7-15(18)11-13(16)2/h3-5,7-8,10-11,17,19H,6,9H2,1-2H3
InChIKeyZCNSQVQUDWSWNK-UHFFFAOYSA-N
MW258.34 g/mol
LogP4.11
Rot. Bonds4

About 1-(4-fluoro-2-methylphenyl)-3-(3-methylphenyl)propan-1-ol

1-(4-fluoro-2-methylphenyl)-3-(3-methylphenyl)propan-1-ol (PubChem CID 105093937) has the molecular formula C17H19FO and a molecular weight of 258.34 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-3-(3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-3-(3-methylphenyl)propan-1-ol
PubChem CID105093937
Molecular FormulaC17H19FO
Molecular Weight258.34 g/mol
Exact Mass258.14
IUPAC Name1-(4-fluoro-2-methylphenyl)-3-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(CCC(O)c2ccc(F)cc2C)c1
InChIInChI=1S/C17H19FO/c1-12-4-3-5-14(10-12)6-9-17(19)16-8-7-15(18)11-13(16)2/h3-5,7-8,10-11,17,19H,6,9H2,1-2H3
InChIKeyZCNSQVQUDWSWNK-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-5-fluorophenyl)-3-(3-methylphenyl)propan-1-ol
CID 105397604
1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)propan-1-ol
CID 105121012
1,3-bis(3-methylphenyl)propan-1-ol
CID 105077889
1-(3,4-difluorophenyl)-3-(3-methylphenyl)propan-1-ol
CID 105096422
1-(2,4-difluorophenyl)-2-[2-(3-methylphenyl)ethylamino]ethanol
CID 62315194
(1S)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 79002158
(4-fluoro-2-methylphenyl)-(3-methylphenyl)methanol
CID 62791652
3-(dimethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 115345951
1-(4-fluoro-2-methylphenyl)-2-(3-methoxyphenyl)ethanol
CID 55115802
1-(4-fluoro-2-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanol
CID 65150144
1-(2-bromo-5-fluorophenyl)-4-(3-methylphenyl)butan-2-ol
CID 105088452
5-fluoro-2-[1-[2-(3-methylphenyl)ethylamino]ethyl]phenol
CID 63068009

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-(3-methylphenyl)propan-1-ol?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-(3-methylphenyl)propan-1-ol (CID 105093937) is 1-(4-fluoro-2-methylphenyl)-3-(3-methylphenyl)propan-1-ol.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-3-(3-methylphenyl)propan-1-ol?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-3-(3-methylphenyl)propan-1-ol is Cc1cccc(CCC(O)c2ccc(F)cc2C)c1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-3-(3-methylphenyl)propan-1-ol?
The InChIKey is ZCNSQVQUDWSWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO/c1-12-4-3-5-14(10-12)6-9-17(19)16-8-7-15(18)11-13(16)2/h3-5,7-8,10-11,17,19H,6,9H2,1-2H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-3-(3-methylphenyl)propan-1-ol?
1-(4-fluoro-2-methylphenyl)-3-(3-methylphenyl)propan-1-ol has a molecular weight of 258.34 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-3-(3-methylphenyl)propan-1-ol is sourced from PubChem (CID 105093937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).