1-(5-fluoro-2-methoxyphenyl)-3,5,5-trimethylhexan-1-ol

C16H25FO2 — CID 61087087

IUPAC1-(5-fluoro-2-methoxyphenyl)-3,5,5-trimethylhexan-1-ol
SMILESCOc1ccc(F)cc1C(O)CC(C)CC(C)(C)C
InChIInChI=1S/C16H25FO2/c1-11(10-16(2,3)4)8-14(18)13-9-12(17)6-7-15(13)19-5/h6-7,9,11,14,18H,8,10H2,1-5H3
InChIKeyBPTTUYSTTBZOSS-UHFFFAOYSA-N
MW268.37 g/mol
LogP4.33
Rot. Bonds5

About 1-(5-fluoro-2-methoxyphenyl)-3,5,5-trimethylhexan-1-ol

1-(5-fluoro-2-methoxyphenyl)-3,5,5-trimethylhexan-1-ol (PubChem CID 61087087) has the molecular formula C16H25FO2 and a molecular weight of 268.37 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-3,5,5-trimethylhexan-1-ol.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-3,5,5-trimethylhexan-1-ol
PubChem CID61087087
Molecular FormulaC16H25FO2
Molecular Weight268.37 g/mol
Exact Mass268.18
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-3,5,5-trimethylhexan-1-ol
SMILESCOc1ccc(F)cc1C(O)CC(C)CC(C)(C)C
InChIInChI=1S/C16H25FO2/c1-11(10-16(2,3)4)8-14(18)13-9-12(17)6-7-15(13)19-5/h6-7,9,11,14,18H,8,10H2,1-5H3
InChIKeyBPTTUYSTTBZOSS-UHFFFAOYSA-N
XLogP4.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.37
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethoxyphenyl)-3,5,5-trimethylhexan-1-ol
CID 61101083
1-(5-fluoro-2-methoxyphenyl)-4-methoxy-3-methylbutan-1-ol
CID 105122379
1-(5-fluoro-2-methoxyphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 43485634
1-(5-fluoro-2-methoxyphenyl)-3-methoxy-3-methylbutan-1-ol
CID 103027670
3,3,3-trifluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-ol
CID 61087261
(1R)-1-(5-fluoro-2-methoxyphenyl)propan-1-ol
CID 79002413
1-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutan-1-amine
CID 43122340
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266
(1R)-1-(5-fluoro-2-methoxyphenyl)-2-[methyl(propan-2-yl)amino]ethanol
CID 142421091
3-(5-fluoro-2-methoxyphenyl)butan-2-ol
CID 82781916
3-bromo-1-(5-fluoro-2-methoxyphenyl)propane-1,2-diol
CID 171859876
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-3,5,5-trimethylhexan-1-ol?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-3,5,5-trimethylhexan-1-ol (CID 61087087) is 1-(5-fluoro-2-methoxyphenyl)-3,5,5-trimethylhexan-1-ol.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-3,5,5-trimethylhexan-1-ol?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-3,5,5-trimethylhexan-1-ol is COc1ccc(F)cc1C(O)CC(C)CC(C)(C)C.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-3,5,5-trimethylhexan-1-ol?
The InChIKey is BPTTUYSTTBZOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FO2/c1-11(10-16(2,3)4)8-14(18)13-9-12(17)6-7-15(13)19-5/h6-7,9,11,14,18H,8,10H2,1-5H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-3,5,5-trimethylhexan-1-ol?
1-(5-fluoro-2-methoxyphenyl)-3,5,5-trimethylhexan-1-ol has a molecular weight of 268.37 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)-3,5,5-trimethylhexan-1-ol is sourced from PubChem (CID 61087087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).