[7-fluoro-2-(2,3,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinolin-4-yl]methanol

C19H22FNO4 — CID 102100137

IUPAC[7-fluoro-2-(2,3,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinolin-4-yl]methanol
SMILESCOc1cc(OC)c(OC)c(N2Cc3cc(F)ccc3C(CO)C2)c1
InChIInChI=1S/C19H22FNO4/c1-23-15-7-17(19(25-3)18(8-15)24-2)21-9-12-6-14(20)4-5-16(12)13(10-21)11-22/h4-8,13,22H,9-11H2,1-3H3
InChIKeyLKHITOMUDQNUHU-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.95
Rot. Bonds5

About [7-fluoro-2-(2,3,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinolin-4-yl]methanol

[7-fluoro-2-(2,3,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinolin-4-yl]methanol (PubChem CID 102100137) has the molecular formula C19H22FNO4 and a molecular weight of 347.39 g/mol. Its IUPAC name is [7-fluoro-2-(2,3,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinolin-4-yl]methanol.

Molecular Properties

Compound Name[7-fluoro-2-(2,3,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinolin-4-yl]methanol
PubChem CID102100137
Molecular FormulaC19H22FNO4
Molecular Weight347.39 g/mol
Exact Mass347.15
IUPAC Name[7-fluoro-2-(2,3,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinolin-4-yl]methanol
SMILESCOc1cc(OC)c(OC)c(N2Cc3cc(F)ccc3C(CO)C2)c1
InChIInChI=1S/C19H22FNO4/c1-23-15-7-17(19(25-3)18(8-15)24-2)21-9-12-6-14(20)4-5-16(12)13(10-21)11-22/h4-8,13,22H,9-11H2,1-3H3
InChIKeyLKHITOMUDQNUHU-UHFFFAOYSA-N
XLogP2.95
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(4S)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinolin-4-yl]methanol
CID 102233510
[(1S,2R,10S,19S)-12,14-dimethoxy-9,17-diazahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-3,5,7,11(16),12,14,20,22,24-nonaen-19-yl]methanol
CID 102198654
[6-amino-1-(4-methoxyphenyl)-2,3-dihydroindol-3-yl]methanol
CID 86097964
1-fluoro-2,3,5-trimethoxybenzene
CID 151392889
(6-methoxy-3-methyl-2,3-dihydro-1H-inden-1-yl)methanol
CID 14967720
(6S)-6-(hydroxymethyl)-1,2,3,9-tetramethoxy-5,6-dihydrocyclohepta[a]naphthalen-8-one
CID 12040052
6-fluoro-3-(2-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine
CID 712131
(3S)-7-fluoro-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 51440874
2-[4-[3-(5-fluoro-1,3-dihydroisoindol-2-yl)butyl]-2-methoxyphenoxy]ethanol
CID 123185299
(1S,2S)-6-fluoro-2-[2-[methyl-[2-(2,4,6-trimethoxyphenyl)ethyl]amino]ethyl]-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-ol
CID 70446164
2-(3,4-dimethoxyphenyl)-1-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 40599402
[4-(5-fluoro-2-methoxyphenyl)-1-methylpiperidin-4-yl]methanol
CID 82088194

Frequently Asked Questions

What is the IUPAC name of [7-fluoro-2-(2,3,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinolin-4-yl]methanol?
The IUPAC name of [7-fluoro-2-(2,3,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinolin-4-yl]methanol (CID 102100137) is [7-fluoro-2-(2,3,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinolin-4-yl]methanol.
What is the SMILES notation for [7-fluoro-2-(2,3,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinolin-4-yl]methanol?
The canonical SMILES for [7-fluoro-2-(2,3,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinolin-4-yl]methanol is COc1cc(OC)c(OC)c(N2Cc3cc(F)ccc3C(CO)C2)c1.
What is the InChIKey of [7-fluoro-2-(2,3,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinolin-4-yl]methanol?
The InChIKey is LKHITOMUDQNUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO4/c1-23-15-7-17(19(25-3)18(8-15)24-2)21-9-12-6-14(20)4-5-16(12)13(10-21)11-22/h4-8,13,22H,9-11H2,1-3H3.
What are the key properties of [7-fluoro-2-(2,3,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinolin-4-yl]methanol?
[7-fluoro-2-(2,3,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinolin-4-yl]methanol has a molecular weight of 347.39 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-fluoro-2-(2,3,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinolin-4-yl]methanol is sourced from PubChem (CID 102100137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).