[4-(dimethylamino)phenyl]-(2-fluoro-3-methoxyphenyl)methanol

C16H18FNO2 — CID 82805394

IUPAC[4-(dimethylamino)phenyl]-(2-fluoro-3-methoxyphenyl)methanol
SMILESCOc1cccc(C(O)c2ccc(N(C)C)cc2)c1F
InChIInChI=1S/C16H18FNO2/c1-18(2)12-9-7-11(8-10-12)16(19)13-5-4-6-14(20-3)15(13)17/h4-10,16,19H,1-3H3
InChIKeyZFPOWWCLHUBIKJ-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.98
Rot. Bonds4

About [4-(dimethylamino)phenyl]-(2-fluoro-3-methoxyphenyl)methanol

[4-(dimethylamino)phenyl]-(2-fluoro-3-methoxyphenyl)methanol (PubChem CID 82805394) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-(2-fluoro-3-methoxyphenyl)methanol.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-(2-fluoro-3-methoxyphenyl)methanol
PubChem CID82805394
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name[4-(dimethylamino)phenyl]-(2-fluoro-3-methoxyphenyl)methanol
SMILESCOc1cccc(C(O)c2ccc(N(C)C)cc2)c1F
InChIInChI=1S/C16H18FNO2/c1-18(2)12-9-7-11(8-10-12)16(19)13-5-4-6-14(20-3)15(13)17/h4-10,16,19H,1-3H3
InChIKeyZFPOWWCLHUBIKJ-UHFFFAOYSA-N
XLogP2.98
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-(dimethylamino)phenyl]-(2-fluoro-3-methoxyphenyl)methanol
CID 105120885
(2,6-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanol
CID 116809671
(2-fluoro-3-methoxyphenyl)-(3-methoxy-4-methylphenyl)methanol
CID 115828621
(2,3-dimethoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82791266
(4-bromo-3-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82806466
(2,5-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanol
CID 63895776
(2-amino-3-methoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 107469597
(2-aminophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82807791
(2,3-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82806744
2,2-difluoro-1-(2-fluoro-3-methoxyphenyl)ethanol
CID 112575477
(2-fluoro-3-methoxyphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 82791432
1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 55273473

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl]-(2-fluoro-3-methoxyphenyl)methanol?
The IUPAC name of [4-(dimethylamino)phenyl]-(2-fluoro-3-methoxyphenyl)methanol (CID 82805394) is [4-(dimethylamino)phenyl]-(2-fluoro-3-methoxyphenyl)methanol.
What is the SMILES notation for [4-(dimethylamino)phenyl]-(2-fluoro-3-methoxyphenyl)methanol?
The canonical SMILES for [4-(dimethylamino)phenyl]-(2-fluoro-3-methoxyphenyl)methanol is COc1cccc(C(O)c2ccc(N(C)C)cc2)c1F.
What is the InChIKey of [4-(dimethylamino)phenyl]-(2-fluoro-3-methoxyphenyl)methanol?
The InChIKey is ZFPOWWCLHUBIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-18(2)12-9-7-11(8-10-12)16(19)13-5-4-6-14(20-3)15(13)17/h4-10,16,19H,1-3H3.
What are the key properties of [4-(dimethylamino)phenyl]-(2-fluoro-3-methoxyphenyl)methanol?
[4-(dimethylamino)phenyl]-(2-fluoro-3-methoxyphenyl)methanol has a molecular weight of 275.32 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]-(2-fluoro-3-methoxyphenyl)methanol is sourced from PubChem (CID 82805394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).