3-(2-fluoro-3,5,6-trimethoxyphenyl)propan-1-ol

C12H17FO4 — CID 117362411

IUPAC3-(2-fluoro-3,5,6-trimethoxyphenyl)propan-1-ol
SMILESCOc1cc(OC)c(OC)c(CCCO)c1F
InChIInChI=1S/C12H17FO4/c1-15-9-7-10(16-2)12(17-3)8(11(9)13)5-4-6-14/h7,14H,4-6H2,1-3H3
InChIKeyXNXRLUOFYLDTSA-UHFFFAOYSA-N
MW244.26 g/mol
LogP1.78
Rot. Bonds6

About 3-(2-fluoro-3,5,6-trimethoxyphenyl)propan-1-ol

3-(2-fluoro-3,5,6-trimethoxyphenyl)propan-1-ol (PubChem CID 117362411) has the molecular formula C12H17FO4 and a molecular weight of 244.26 g/mol. Its IUPAC name is 3-(2-fluoro-3,5,6-trimethoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(2-fluoro-3,5,6-trimethoxyphenyl)propan-1-ol
PubChem CID117362411
Molecular FormulaC12H17FO4
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name3-(2-fluoro-3,5,6-trimethoxyphenyl)propan-1-ol
SMILESCOc1cc(OC)c(OC)c(CCCO)c1F
InChIInChI=1S/C12H17FO4/c1-15-9-7-10(16-2)12(17-3)8(11(9)13)5-4-6-14/h7,14H,4-6H2,1-3H3
InChIKeyXNXRLUOFYLDTSA-UHFFFAOYSA-N
XLogP1.78
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-fluoro-3,5,6-trimethoxyphenyl)propan-1-amine
CID 117359859
3-(5-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-ol
CID 117363862
3-(3-chloro-2,5-difluoro-6-methoxyphenyl)propan-1-ol
CID 117345741
3-(4-fluoro-3-methoxy-5-methylphenyl)propan-1-ol
CID 117287894
3-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-1-ol
CID 117400668
3-(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)propan-1-ol
CID 117328430
3-(2,4-dimethoxy-3,6-dimethylphenyl)propan-1-ol
CID 117322234
5-fluoro-2-(3-hydroxypropyl)-3-methoxyphenol
CID 117289240
3-(2,3-difluoro-5,6-dimethoxyphenyl)propanoic acid
CID 117367256
2-bromo-4-fluoro-3-(3-hydroxypropyl)-6-methoxyphenol
CID 117447283
2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)ethanol
CID 117447344
2-(2,3-difluoro-5,6-dimethoxyphenyl)acetic acid
CID 117335777

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-3,5,6-trimethoxyphenyl)propan-1-ol?
The IUPAC name of 3-(2-fluoro-3,5,6-trimethoxyphenyl)propan-1-ol (CID 117362411) is 3-(2-fluoro-3,5,6-trimethoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-(2-fluoro-3,5,6-trimethoxyphenyl)propan-1-ol?
The canonical SMILES for 3-(2-fluoro-3,5,6-trimethoxyphenyl)propan-1-ol is COc1cc(OC)c(OC)c(CCCO)c1F.
What is the InChIKey of 3-(2-fluoro-3,5,6-trimethoxyphenyl)propan-1-ol?
The InChIKey is XNXRLUOFYLDTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO4/c1-15-9-7-10(16-2)12(17-3)8(11(9)13)5-4-6-14/h7,14H,4-6H2,1-3H3.
What are the key properties of 3-(2-fluoro-3,5,6-trimethoxyphenyl)propan-1-ol?
3-(2-fluoro-3,5,6-trimethoxyphenyl)propan-1-ol has a molecular weight of 244.26 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-3,5,6-trimethoxyphenyl)propan-1-ol is sourced from PubChem (CID 117362411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).