4-[(3R)-3-(4-fluoro-1,3-dihydroisoindol-2-yl)butyl]-2-methoxyphenol

C19H22FNO2 — CID 118282956

IUPAC4-[(3R)-3-(4-fluoro-1,3-dihydroisoindol-2-yl)butyl]-2-methoxyphenol
SMILESCOc1cc(CC[C@@H](C)N2Cc3cccc(F)c3C2)ccc1O
InChIInChI=1S/C19H22FNO2/c1-13(6-7-14-8-9-18(22)19(10-14)23-2)21-11-15-4-3-5-17(20)16(15)12-21/h3-5,8-10,13,22H,6-7,11-12H2,1-2H3/t13-/m1/s1
InChIKeyYYNYULNQESTNGR-CYBMUJFWSA-N
MW315.39 g/mol
LogP3.88
Rot. Bonds5

About 4-[(3R)-3-(4-fluoro-1,3-dihydroisoindol-2-yl)butyl]-2-methoxyphenol

4-[(3R)-3-(4-fluoro-1,3-dihydroisoindol-2-yl)butyl]-2-methoxyphenol (PubChem CID 118282956) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is 4-[(3R)-3-(4-fluoro-1,3-dihydroisoindol-2-yl)butyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(3R)-3-(4-fluoro-1,3-dihydroisoindol-2-yl)butyl]-2-methoxyphenol
PubChem CID118282956
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC Name4-[(3R)-3-(4-fluoro-1,3-dihydroisoindol-2-yl)butyl]-2-methoxyphenol
SMILESCOc1cc(CC[C@@H](C)N2Cc3cccc(F)c3C2)ccc1O
InChIInChI=1S/C19H22FNO2/c1-13(6-7-14-8-9-18(22)19(10-14)23-2)21-11-15-4-3-5-17(20)16(15)12-21/h3-5,8-10,13,22H,6-7,11-12H2,1-2H3/t13-/m1/s1
InChIKeyYYNYULNQESTNGR-CYBMUJFWSA-N
XLogP3.88
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-(4-fluoro-1,3-dihydroisoindol-2-yl)butyl]-2-methoxyphenol?
The IUPAC name of 4-[(3R)-3-(4-fluoro-1,3-dihydroisoindol-2-yl)butyl]-2-methoxyphenol (CID 118282956) is 4-[(3R)-3-(4-fluoro-1,3-dihydroisoindol-2-yl)butyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(3R)-3-(4-fluoro-1,3-dihydroisoindol-2-yl)butyl]-2-methoxyphenol?
The canonical SMILES for 4-[(3R)-3-(4-fluoro-1,3-dihydroisoindol-2-yl)butyl]-2-methoxyphenol is COc1cc(CC[C@@H](C)N2Cc3cccc(F)c3C2)ccc1O.
What is the InChIKey of 4-[(3R)-3-(4-fluoro-1,3-dihydroisoindol-2-yl)butyl]-2-methoxyphenol?
The InChIKey is YYNYULNQESTNGR-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22FNO2/c1-13(6-7-14-8-9-18(22)19(10-14)23-2)21-11-15-4-3-5-17(20)16(15)12-21/h3-5,8-10,13,22H,6-7,11-12H2,1-2H3/t13-/m1/s1.
What are the key properties of 4-[(3R)-3-(4-fluoro-1,3-dihydroisoindol-2-yl)butyl]-2-methoxyphenol?
4-[(3R)-3-(4-fluoro-1,3-dihydroisoindol-2-yl)butyl]-2-methoxyphenol has a molecular weight of 315.39 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-(4-fluoro-1,3-dihydroisoindol-2-yl)butyl]-2-methoxyphenol is sourced from PubChem (CID 118282956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).