1-(2-fluoro-3-methoxyphenyl)-4-methylpentan-1-ol

C13H19FO2 — CID 82808505

IUPAC1-(2-fluoro-3-methoxyphenyl)-4-methylpentan-1-ol
SMILESCOc1cccc(C(O)CCC(C)C)c1F
InChIInChI=1S/C13H19FO2/c1-9(2)7-8-11(15)10-5-4-6-12(16-3)13(10)14/h4-6,9,11,15H,7-8H2,1-3H3
InChIKeyRRJDTFPGPOVBHO-UHFFFAOYSA-N
MW226.29 g/mol
LogP3.30
Rot. Bonds5

About 1-(2-fluoro-3-methoxyphenyl)-4-methylpentan-1-ol

1-(2-fluoro-3-methoxyphenyl)-4-methylpentan-1-ol (PubChem CID 82808505) has the molecular formula C13H19FO2 and a molecular weight of 226.29 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-4-methylpentan-1-ol.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-4-methylpentan-1-ol
PubChem CID82808505
Molecular FormulaC13H19FO2
Molecular Weight226.29 g/mol
Exact Mass226.14
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-4-methylpentan-1-ol
SMILESCOc1cccc(C(O)CCC(C)C)c1F
InChIInChI=1S/C13H19FO2/c1-9(2)7-8-11(15)10-5-4-6-12(16-3)13(10)14/h4-6,9,11,15H,7-8H2,1-3H3
InChIKeyRRJDTFPGPOVBHO-UHFFFAOYSA-N
XLogP3.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)propan-1-ol
CID 105121012
1-(2-fluoro-3-methoxyphenyl)-2-methylpentan-1-ol
CID 82805526
1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 55273473
(1S,2S)-1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 55271368
2-(4-chlorophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanol
CID 82807893
(1R,2S)-1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol;hydrochloride
CID 171262633
1-(2-fluoro-3-methoxyphenyl)pentane-1,2-diol
CID 103454923
2,2-difluoro-1-(2-fluoro-3-methoxyphenyl)ethanol
CID 112575477
1-(2-fluoro-3-methoxyphenyl)propane-1,2,3-triol
CID 170819054
4-(2-fluoro-3-methoxyphenyl)pentan-2-one
CID 82810773
1-(2,3-difluorophenyl)-4-methoxypentan-1-ol
CID 105099608
(2,3-dimethoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82791266

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-4-methylpentan-1-ol?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-4-methylpentan-1-ol (CID 82808505) is 1-(2-fluoro-3-methoxyphenyl)-4-methylpentan-1-ol.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-4-methylpentan-1-ol?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-4-methylpentan-1-ol is COc1cccc(C(O)CCC(C)C)c1F.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-4-methylpentan-1-ol?
The InChIKey is RRJDTFPGPOVBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO2/c1-9(2)7-8-11(15)10-5-4-6-12(16-3)13(10)14/h4-6,9,11,15H,7-8H2,1-3H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-4-methylpentan-1-ol?
1-(2-fluoro-3-methoxyphenyl)-4-methylpentan-1-ol has a molecular weight of 226.29 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methoxyphenyl)-4-methylpentan-1-ol is sourced from PubChem (CID 82808505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).