4-fluoro-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol

C11H13FO3 — CID 117302776

IUPAC4-fluoro-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol
SMILESCOc1cc(F)cc(CC2(O)CC2)c1O
InChIInChI=1S/C11H13FO3/c1-15-9-5-8(12)4-7(10(9)13)6-11(14)2-3-11/h4-5,13-14H,2-3,6H2,1H3
InChIKeyXSZANAOULXCIQU-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.61
Rot. Bonds3

About 4-fluoro-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol

4-fluoro-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol (PubChem CID 117302776) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is 4-fluoro-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol.

Molecular Properties

Compound Name4-fluoro-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol
PubChem CID117302776
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name4-fluoro-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol
SMILESCOc1cc(F)cc(CC2(O)CC2)c1O
InChIInChI=1S/C11H13FO3/c1-15-9-5-8(12)4-7(10(9)13)6-11(14)2-3-11/h4-5,13-14H,2-3,6H2,1H3
InChIKeyXSZANAOULXCIQU-UHFFFAOYSA-N
XLogP1.61
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-ethyl-5-fluoro-3-methoxyphenyl)methyl]cyclopropan-1-ol
CID 117322147
1-[[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol
CID 117353256
3-[(1-hydroxycyclopropyl)methyl]-4-methoxyphenol
CID 117284575
6-[(1-hydroxycyclopropyl)methyl]-2-methoxy-3,4-dimethylphenol
CID 117318324
2-(3-aminopropyl)-4-fluoro-6-methoxyphenol
CID 117288585
methyl 4-hydroxy-5-[(1-hydroxycyclopropyl)methyl]-2-methoxybenzoate
CID 117383572
1-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]cyclopropan-1-ol
CID 117379471
4-chloro-2-fluoro-6-[(1-hydroxycyclopropyl)methyl]phenol
CID 117308613
5-fluoro-2-(1-hydroxycyclopropyl)-3-methoxyphenol
CID 117287688
1-[(2,3,4-trimethoxyphenyl)methyl]cyclopropan-1-ol
CID 117349180
2-fluoro-3-[(1-hydroxycyclopropyl)methyl]-5-methylphenol
CID 117286145
3-ethyl-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol
CID 117318322

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol?
The IUPAC name of 4-fluoro-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol (CID 117302776) is 4-fluoro-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol.
What is the SMILES notation for 4-fluoro-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol?
The canonical SMILES for 4-fluoro-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol is COc1cc(F)cc(CC2(O)CC2)c1O.
What is the InChIKey of 4-fluoro-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol?
The InChIKey is XSZANAOULXCIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c1-15-9-5-8(12)4-7(10(9)13)6-11(14)2-3-11/h4-5,13-14H,2-3,6H2,1H3.
What are the key properties of 4-fluoro-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol?
4-fluoro-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol has a molecular weight of 212.22 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol is sourced from PubChem (CID 117302776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).