1-(2,6-difluoro-4-methoxyphenyl)-4-methylpentan-1-ol

C13H18F2O2 — CID 61100809

IUPAC1-(2,6-difluoro-4-methoxyphenyl)-4-methylpentan-1-ol
SMILESCOc1cc(F)c(C(O)CCC(C)C)c(F)c1
InChIInChI=1S/C13H18F2O2/c1-8(2)4-5-12(16)13-10(14)6-9(17-3)7-11(13)15/h6-8,12,16H,4-5H2,1-3H3
InChIKeyWLGIHRXVHFTCDO-UHFFFAOYSA-N
MW244.28 g/mol
LogP3.44
Rot. Bonds5

About 1-(2,6-difluoro-4-methoxyphenyl)-4-methylpentan-1-ol

1-(2,6-difluoro-4-methoxyphenyl)-4-methylpentan-1-ol (PubChem CID 61100809) has the molecular formula C13H18F2O2 and a molecular weight of 244.28 g/mol. Its IUPAC name is 1-(2,6-difluoro-4-methoxyphenyl)-4-methylpentan-1-ol.

Molecular Properties

Compound Name1-(2,6-difluoro-4-methoxyphenyl)-4-methylpentan-1-ol
PubChem CID61100809
Molecular FormulaC13H18F2O2
Molecular Weight244.28 g/mol
Exact Mass244.13
IUPAC Name1-(2,6-difluoro-4-methoxyphenyl)-4-methylpentan-1-ol
SMILESCOc1cc(F)c(C(O)CCC(C)C)c(F)c1
InChIInChI=1S/C13H18F2O2/c1-8(2)4-5-12(16)13-10(14)6-9(17-3)7-11(13)15/h6-8,12,16H,4-5H2,1-3H3
InChIKeyWLGIHRXVHFTCDO-UHFFFAOYSA-N
XLogP3.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanol
CID 61099781
cyclopropyl-(2,6-difluoro-4-methoxyphenyl)methanol
CID 61099955
1-(4-methoxyphenyl)-4-methylpentan-1-ol
CID 61101415
3-(2,6-difluoro-4-methoxyphenyl)-2,3-dihydroxypropanoic acid
CID 170825291
(1S,2R)-1-amino-5-methyl-1-(2,4,6-trimethoxyphenyl)hexan-2-ol
CID 171267047
1-(2,6-difluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 118992878
(1S)-1-(2,6-difluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 118992875
(1S,2R)-1-amino-5-methyl-1-(2,4,6-trimethoxyphenyl)hexan-2-ol;hydrochloride
CID 171267048
(3R)-3-amino-3-(2,6-difluoro-4-methoxyphenyl)propan-1-ol;hydrochloride
CID 171215813
1-(2,4-dimethoxyphenyl)-4-methylpentan-1-ol
CID 61088835
3-(2-chloro-6-fluoro-4-methoxyphenyl)butan-1-amine
CID 84795108
2-(1-chloro-2-methylbutyl)-1,3-difluoro-5-methoxybenzene
CID 63427268

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-4-methoxyphenyl)-4-methylpentan-1-ol?
The IUPAC name of 1-(2,6-difluoro-4-methoxyphenyl)-4-methylpentan-1-ol (CID 61100809) is 1-(2,6-difluoro-4-methoxyphenyl)-4-methylpentan-1-ol.
What is the SMILES notation for 1-(2,6-difluoro-4-methoxyphenyl)-4-methylpentan-1-ol?
The canonical SMILES for 1-(2,6-difluoro-4-methoxyphenyl)-4-methylpentan-1-ol is COc1cc(F)c(C(O)CCC(C)C)c(F)c1.
What is the InChIKey of 1-(2,6-difluoro-4-methoxyphenyl)-4-methylpentan-1-ol?
The InChIKey is WLGIHRXVHFTCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2O2/c1-8(2)4-5-12(16)13-10(14)6-9(17-3)7-11(13)15/h6-8,12,16H,4-5H2,1-3H3.
What are the key properties of 1-(2,6-difluoro-4-methoxyphenyl)-4-methylpentan-1-ol?
1-(2,6-difluoro-4-methoxyphenyl)-4-methylpentan-1-ol has a molecular weight of 244.28 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-4-methoxyphenyl)-4-methylpentan-1-ol is sourced from PubChem (CID 61100809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).