[4-(dimethylamino)phenyl]-(3-fluoro-5-methylphenyl)methanol

C16H18FNO — CID 79692029

IUPAC[4-(dimethylamino)phenyl]-(3-fluoro-5-methylphenyl)methanol
SMILESCc1cc(F)cc(C(O)c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C16H18FNO/c1-11-8-13(10-14(17)9-11)16(19)12-4-6-15(7-5-12)18(2)3/h4-10,16,19H,1-3H3
InChIKeyWYVOEVHNMHQQNE-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.28
Rot. Bonds3

About [4-(dimethylamino)phenyl]-(3-fluoro-5-methylphenyl)methanol

[4-(dimethylamino)phenyl]-(3-fluoro-5-methylphenyl)methanol (PubChem CID 79692029) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-(3-fluoro-5-methylphenyl)methanol.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-(3-fluoro-5-methylphenyl)methanol
PubChem CID79692029
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name[4-(dimethylamino)phenyl]-(3-fluoro-5-methylphenyl)methanol
SMILESCc1cc(F)cc(C(O)c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C16H18FNO/c1-11-8-13(10-14(17)9-11)16(19)12-4-6-15(7-5-12)18(2)3/h4-10,16,19H,1-3H3
InChIKeyWYVOEVHNMHQQNE-UHFFFAOYSA-N
XLogP3.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

(R)-(3,5-dimethylphenyl)-(4-fluorophenyl)methanol
CID 7154269
(3-fluoro-5-methylphenyl)-(4-methoxyphenyl)methanol
CID 79691470
(3-chloro-4-iodophenyl)-(3-fluoro-5-methylphenyl)methanol
CID 103216999
(3-fluoro-5-methylphenyl)-(3-methoxy-4-methylphenyl)methanol
CID 115823139
(4-bromo-3-chlorophenyl)-(3-fluoro-5-methylphenyl)methanol
CID 115823118
(3-bromo-5-methylphenyl)-(3,5-difluorophenyl)methanol
CID 115793225
(4-bromo-3,5-dimethylphenyl)-(3-fluoro-5-methylphenyl)methanol
CID 114329914
bis[4-(dimethylamino)phenyl]methanol;5-(dimethylamino)-2-methylbenzaldehyde
CID 143118535
(3-fluoro-5-methylphenyl)-(3-methoxyphenyl)methanol
CID 79689828
3-[amino-(3-fluoro-5-methylphenyl)methyl]-N,N-dimethylaniline
CID 105169951
(2-chloro-5-fluorophenyl)-(3-fluoro-5-methylphenyl)methanol
CID 105394565
(2-fluoro-3-methylphenyl)-(3-fluoro-5-methylphenyl)methanol
CID 115823134

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl]-(3-fluoro-5-methylphenyl)methanol?
The IUPAC name of [4-(dimethylamino)phenyl]-(3-fluoro-5-methylphenyl)methanol (CID 79692029) is [4-(dimethylamino)phenyl]-(3-fluoro-5-methylphenyl)methanol.
What is the SMILES notation for [4-(dimethylamino)phenyl]-(3-fluoro-5-methylphenyl)methanol?
The canonical SMILES for [4-(dimethylamino)phenyl]-(3-fluoro-5-methylphenyl)methanol is Cc1cc(F)cc(C(O)c2ccc(N(C)C)cc2)c1.
What is the InChIKey of [4-(dimethylamino)phenyl]-(3-fluoro-5-methylphenyl)methanol?
The InChIKey is WYVOEVHNMHQQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-11-8-13(10-14(17)9-11)16(19)12-4-6-15(7-5-12)18(2)3/h4-10,16,19H,1-3H3.
What are the key properties of [4-(dimethylamino)phenyl]-(3-fluoro-5-methylphenyl)methanol?
[4-(dimethylamino)phenyl]-(3-fluoro-5-methylphenyl)methanol has a molecular weight of 259.32 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]-(3-fluoro-5-methylphenyl)methanol is sourced from PubChem (CID 79692029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).