(3-fluoro-4-methoxyphenoxy)methanol

C8H9FO3 — CID 89257829

IUPAC(3-fluoro-4-methoxyphenoxy)methanol
SMILESCOc1ccc(OCO)cc1F
InChIInChI=1S/C8H9FO3/c1-11-8-3-2-6(12-5-10)4-7(8)9/h2-4,10H,5H2,1H3
InChIKeyXTPQMUQBHBQDON-UHFFFAOYSA-N
MW172.15 g/mol
LogP1.16
Rot. Bonds3

About (3-fluoro-4-methoxyphenoxy)methanol

(3-fluoro-4-methoxyphenoxy)methanol (PubChem CID 89257829) has the molecular formula C8H9FO3 and a molecular weight of 172.15 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenoxy)methanol.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenoxy)methanol
PubChem CID89257829
Molecular FormulaC8H9FO3
Molecular Weight172.15 g/mol
Exact Mass172.05
IUPAC Name(3-fluoro-4-methoxyphenoxy)methanol
SMILESCOc1ccc(OCO)cc1F
InChIInChI=1S/C8H9FO3/c1-11-8-3-2-6(12-5-10)4-7(8)9/h2-4,10H,5H2,1H3
InChIKeyXTPQMUQBHBQDON-UHFFFAOYSA-N
XLogP1.16
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.15
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(3-fluoro-4-methoxyphenoxy)butanoic acid
CID 14661621
(1R)-1-[2-fluoro-4-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanol
CID 107720216
2-fluoro-3-[(3-fluoro-4-methoxyphenoxy)methoxy]phenol
CID 167070066
3-fluoro-4-methoxyphenol
CID 14661613
2-fluoro-4-[(3-fluorophenoxy)methyl]-1-methoxybenzene
CID 60628032
4-buta-1,3-dien-2-yloxy-2-fluoro-1-methoxybenzene
CID 123425580
4-[(3-fluoro-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole
CID 86850292
1,2,3,4-tetrafluoro-5-[(3-fluoro-4-methoxyphenoxy)methyl]-6-methylsulfonylbenzene
CID 167079785
2-(2,4-difluorophenoxy)-1-(2,5-dimethoxyphenyl)ethanol
CID 110907757
1-(3-fluoro-4-methoxyphenyl)-2-(3-fluoro-4-methylphenoxy)ethanamine
CID 107524174
2-fluoro-1-(4-fluorophenoxy)-4-methoxybenzene
CID 174755555
1-fluoro-4-(fluoromethoxy)-2-methoxybenzene
CID 118227774

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenoxy)methanol?
The IUPAC name of (3-fluoro-4-methoxyphenoxy)methanol (CID 89257829) is (3-fluoro-4-methoxyphenoxy)methanol.
What is the SMILES notation for (3-fluoro-4-methoxyphenoxy)methanol?
The canonical SMILES for (3-fluoro-4-methoxyphenoxy)methanol is COc1ccc(OCO)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenoxy)methanol?
The InChIKey is XTPQMUQBHBQDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO3/c1-11-8-3-2-6(12-5-10)4-7(8)9/h2-4,10H,5H2,1H3.
What are the key properties of (3-fluoro-4-methoxyphenoxy)methanol?
(3-fluoro-4-methoxyphenoxy)methanol has a molecular weight of 172.15 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenoxy)methanol is sourced from PubChem (CID 89257829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).