4-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-3,5-dimethylphenoxy]-2-methylbutan-2-ol

C22H27FO3 — CID 126703246

IUPAC4-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-3,5-dimethylphenoxy]-2-methylbutan-2-ol
SMILESCc1cc(OCCC(C)(C)O)cc(C)c1Oc1ccc(F)c2c1CCC2
InChIInChI=1S/C22H27FO3/c1-14-12-16(25-11-10-22(3,4)24)13-15(2)21(14)26-20-9-8-19(23)17-6-5-7-18(17)20/h8-9,12-13,24H,5-7,10-11H2,1-4H3
InChIKeyNPIYVHXMJJHRCT-UHFFFAOYSA-N
MW358.45 g/mol
LogP5.26
Rot. Bonds6

About 4-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-3,5-dimethylphenoxy]-2-methylbutan-2-ol

4-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-3,5-dimethylphenoxy]-2-methylbutan-2-ol (PubChem CID 126703246) has the molecular formula C22H27FO3 and a molecular weight of 358.45 g/mol. Its IUPAC name is 4-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-3,5-dimethylphenoxy]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-3,5-dimethylphenoxy]-2-methylbutan-2-ol
PubChem CID126703246
Molecular FormulaC22H27FO3
Molecular Weight358.45 g/mol
Exact Mass358.19
IUPAC Name4-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-3,5-dimethylphenoxy]-2-methylbutan-2-ol
SMILESCc1cc(OCCC(C)(C)O)cc(C)c1Oc1ccc(F)c2c1CCC2
InChIInChI=1S/C22H27FO3/c1-14-12-16(25-11-10-22(3,4)24)13-15(2)21(14)26-20-9-8-19(23)17-6-5-7-18(17)20/h8-9,12-13,24H,5-7,10-11H2,1-4H3
InChIKeyNPIYVHXMJJHRCT-UHFFFAOYSA-N
XLogP5.26
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.45
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-3,5-dimethylphenoxy]-2-methylbutan-2-ol with MolForge

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Related Compounds

4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-2-(3-hydroxy-3-methylbutoxy)benzonitrile
CID 144638154
5-[6-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]-2-methylpentan-2-ol
CID 126703230
4-(2,4-difluorophenoxy)-2-methylbutan-2-ol
CID 79360243
2-methyl-4-(2,4,6-trimethylphenoxy)butan-2-ol
CID 79360580
4-fluoro-7-methoxy-2,3-dihydro-1H-indene
CID 23208941
4-(3-hydroxy-3-methylbutoxy)-3-methylbenzoic acid
CID 107673552
4-[4-[(1R)-1-[(5-cyclopropylpyrazin-2-yl)amino]-7-fluoro-2,3-dihydro-1H-inden-4-yl]-3,5-dimethylphenoxy]-2-methylbutan-2-ol
CID 135254505
(1S)-4-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-ol
CID 126511663
4-[3,5-dimethyl-4-(1-propyl-2,3-dihydro-1H-inden-4-yl)phenoxy]-2-methylbutan-2-ol
CID 126592068
5-chloro-2-(3-hydroxy-3-methylbutoxy)benzaldehyde
CID 79354849
4-(3-hydroxy-3-methylbutoxy)-3,5-dimethylbenzenecarbothioamide
CID 79355474
4-(2-amino-4-chlorophenoxy)-2-methylbutan-2-ol
CID 79360783

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-3,5-dimethylphenoxy]-2-methylbutan-2-ol?
The IUPAC name of 4-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-3,5-dimethylphenoxy]-2-methylbutan-2-ol (CID 126703246) is 4-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-3,5-dimethylphenoxy]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-3,5-dimethylphenoxy]-2-methylbutan-2-ol?
The canonical SMILES for 4-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-3,5-dimethylphenoxy]-2-methylbutan-2-ol is Cc1cc(OCCC(C)(C)O)cc(C)c1Oc1ccc(F)c2c1CCC2.
What is the InChIKey of 4-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-3,5-dimethylphenoxy]-2-methylbutan-2-ol?
The InChIKey is NPIYVHXMJJHRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FO3/c1-14-12-16(25-11-10-22(3,4)24)13-15(2)21(14)26-20-9-8-19(23)17-6-5-7-18(17)20/h8-9,12-13,24H,5-7,10-11H2,1-4H3.
What are the key properties of 4-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-3,5-dimethylphenoxy]-2-methylbutan-2-ol?
4-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-3,5-dimethylphenoxy]-2-methylbutan-2-ol has a molecular weight of 358.45 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-3,5-dimethylphenoxy]-2-methylbutan-2-ol is sourced from PubChem (CID 126703246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).