[5-(2,2-dimethylpentyl)-2-fluoro-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol

C21H26F2O2 — CID 143789392

IUPAC[5-(2,2-dimethylpentyl)-2-fluoro-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol
SMILESCCCC(C)(C)Cc1cc(CO)c(F)cc1-c1cc(OC)ccc1F
InChIInChI=1S/C21H26F2O2/c1-5-8-21(2,3)12-14-9-15(13-24)20(23)11-17(14)18-10-16(25-4)6-7-19(18)22/h6-7,9-11,24H,5,8,12-13H2,1-4H3
InChIKeyUAERTMANFXJJIU-UHFFFAOYSA-N
MW348.43 g/mol
LogP5.50
Rot. Bonds7

About [5-(2,2-dimethylpentyl)-2-fluoro-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol

[5-(2,2-dimethylpentyl)-2-fluoro-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol (PubChem CID 143789392) has the molecular formula C21H26F2O2 and a molecular weight of 348.43 g/mol. Its IUPAC name is [5-(2,2-dimethylpentyl)-2-fluoro-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol.

Molecular Properties

Compound Name[5-(2,2-dimethylpentyl)-2-fluoro-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol
PubChem CID143789392
Molecular FormulaC21H26F2O2
Molecular Weight348.43 g/mol
Exact Mass348.19
IUPAC Name[5-(2,2-dimethylpentyl)-2-fluoro-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol
SMILESCCCC(C)(C)Cc1cc(CO)c(F)cc1-c1cc(OC)ccc1F
InChIInChI=1S/C21H26F2O2/c1-5-8-21(2,3)12-14-9-15(13-24)20(23)11-17(14)18-10-16(25-4)6-7-19(18)22/h6-7,9-11,24H,5,8,12-13H2,1-4H3
InChIKeyUAERTMANFXJJIU-UHFFFAOYSA-N
XLogP5.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.43
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(2,2-dimethylpentyl)-2-fluoro-4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]methanol
CID 143860020
[3-(2,2-dimethylpent-4-ynyl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol
CID 175927723
2-[4-(chloromethyl)-2-(2,2-dimethylpentyl)phenyl]-1-fluoro-4-(trifluoromethoxy)benzene
CID 143788501
4-cyclopropyl-3-[3-[[3-(2,2-dimethylpentyl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-2-fluorophenyl]butanoic acid
CID 143788840
2-[7-[[3-(2,2-dimethylpentyl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 143977306
(3'S)-5-[[3-(2,2-dimethylpentyl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-4,7-difluoro-3'-methylspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid
CID 143977214
2-(2-fluoro-5-methoxyphenyl)-5-(hydroxymethyl)benzoic acid
CID 57467590
ethane;1-[5-ethyl-2-(2-fluoro-5-methoxyphenyl)phenyl]-2,2-dimethylpropan-1-one
CID 143789443
(2-ethoxy-4-methoxyphenyl)methanol
CID 61267380
1-fluoro-4-methoxy-2-(2-methoxyphenyl)benzene
CID 69262125
[2-fluoro-4-(4-methoxyphenyl)phenyl]methanol
CID 11207006
CID 157352801
CID 157352801

Frequently Asked Questions

What is the IUPAC name of [5-(2,2-dimethylpentyl)-2-fluoro-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol?
The IUPAC name of [5-(2,2-dimethylpentyl)-2-fluoro-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol (CID 143789392) is [5-(2,2-dimethylpentyl)-2-fluoro-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol.
What is the SMILES notation for [5-(2,2-dimethylpentyl)-2-fluoro-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol?
The canonical SMILES for [5-(2,2-dimethylpentyl)-2-fluoro-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol is CCCC(C)(C)Cc1cc(CO)c(F)cc1-c1cc(OC)ccc1F.
What is the InChIKey of [5-(2,2-dimethylpentyl)-2-fluoro-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol?
The InChIKey is UAERTMANFXJJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2O2/c1-5-8-21(2,3)12-14-9-15(13-24)20(23)11-17(14)18-10-16(25-4)6-7-19(18)22/h6-7,9-11,24H,5,8,12-13H2,1-4H3.
What are the key properties of [5-(2,2-dimethylpentyl)-2-fluoro-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol?
[5-(2,2-dimethylpentyl)-2-fluoro-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol has a molecular weight of 348.43 g/mol, XLogP of 5.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,2-dimethylpentyl)-2-fluoro-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol is sourced from PubChem (CID 143789392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).