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

C16H18FNO2 — CID 105120885

IUPAC[3-(dimethylamino)phenyl]-(2-fluoro-3-methoxyphenyl)methanol
SMILESCOc1cccc(C(O)c2cccc(N(C)C)c2)c1F
InChIInChI=1S/C16H18FNO2/c1-18(2)12-7-4-6-11(10-12)16(19)13-8-5-9-14(20-3)15(13)17/h4-10,16,19H,1-3H3
InChIKeyQKIFAPLKKLANDE-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.98
Rot. Bonds4

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

[3-(dimethylamino)phenyl]-(2-fluoro-3-methoxyphenyl)methanol (PubChem CID 105120885) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is [3-(dimethylamino)phenyl]-(2-fluoro-3-methoxyphenyl)methanol.

Molecular Properties

Compound Name[3-(dimethylamino)phenyl]-(2-fluoro-3-methoxyphenyl)methanol
PubChem CID105120885
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name[3-(dimethylamino)phenyl]-(2-fluoro-3-methoxyphenyl)methanol
SMILESCOc1cccc(C(O)c2cccc(N(C)C)c2)c1F
InChIInChI=1S/C16H18FNO2/c1-18(2)12-7-4-6-11(10-12)16(19)13-8-5-9-14(20-3)15(13)17/h4-10,16,19H,1-3H3
InChIKeyQKIFAPLKKLANDE-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

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Related Compounds

[4-(dimethylamino)phenyl]-(2-fluoro-3-methoxyphenyl)methanol
CID 82805394
(2,3-difluoro-4-methylphenyl)-[3-(dimethylamino)phenyl]methanol
CID 107516253
(2-fluoro-3-methoxyphenyl)-(3-methoxy-4-methylphenyl)methanol
CID 115828621
(4-bromo-3-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82806466
(3,5-dimethoxyphenyl)-[3-(dimethylamino)phenyl]methanol
CID 105114451
[3-(dimethylamino)phenyl]-(2-fluoro-5-methylphenyl)methanol
CID 105094125
(2,3-dimethoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82791266
(5-bromo-2-fluorophenyl)-[3-(dimethylamino)phenyl]methanol
CID 105113633
(2-amino-3-methoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 107469597
(2-aminophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82807791
(2-fluoro-3-methoxyphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 82791432
(2,3-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82806744

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)phenyl]-(2-fluoro-3-methoxyphenyl)methanol?
The IUPAC name of [3-(dimethylamino)phenyl]-(2-fluoro-3-methoxyphenyl)methanol (CID 105120885) is [3-(dimethylamino)phenyl]-(2-fluoro-3-methoxyphenyl)methanol.
What is the SMILES notation for [3-(dimethylamino)phenyl]-(2-fluoro-3-methoxyphenyl)methanol?
The canonical SMILES for [3-(dimethylamino)phenyl]-(2-fluoro-3-methoxyphenyl)methanol is COc1cccc(C(O)c2cccc(N(C)C)c2)c1F.
What is the InChIKey of [3-(dimethylamino)phenyl]-(2-fluoro-3-methoxyphenyl)methanol?
The InChIKey is QKIFAPLKKLANDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-18(2)12-7-4-6-11(10-12)16(19)13-8-5-9-14(20-3)15(13)17/h4-10,16,19H,1-3H3.
What are the key properties of [3-(dimethylamino)phenyl]-(2-fluoro-3-methoxyphenyl)methanol?
[3-(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 [3-(dimethylamino)phenyl]-(2-fluoro-3-methoxyphenyl)methanol is sourced from PubChem (CID 105120885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).