4-(fluoromethoxy)-3-hydroxybenzaldehyde;methylcyclopropane

C12H15FO3 — CID 142097693

IUPAC4-(fluoromethoxy)-3-hydroxybenzaldehyde;methylcyclopropane
SMILESCC1CC1.O=Cc1ccc(OCF)c(O)c1
InChIInChI=1S/C8H7FO3.C4H8/c9-5-12-8-2-1-6(4-10)3-7(8)11;1-4-2-3-4/h1-4,11H,5H2;4H,2-3H2,1H3
InChIKeyFIHBLROTOUFCNG-UHFFFAOYSA-N
MW226.25 g/mol
LogP2.93
Rot. Bonds3

About 4-(fluoromethoxy)-3-hydroxybenzaldehyde;methylcyclopropane

4-(fluoromethoxy)-3-hydroxybenzaldehyde;methylcyclopropane (PubChem CID 142097693) has the molecular formula C12H15FO3 and a molecular weight of 226.25 g/mol. Its IUPAC name is 4-(fluoromethoxy)-3-hydroxybenzaldehyde;methylcyclopropane.

Molecular Properties

Compound Name4-(fluoromethoxy)-3-hydroxybenzaldehyde;methylcyclopropane
PubChem CID142097693
Molecular FormulaC12H15FO3
Molecular Weight226.25 g/mol
Exact Mass226.10
IUPAC Name4-(fluoromethoxy)-3-hydroxybenzaldehyde;methylcyclopropane
SMILESCC1CC1.O=Cc1ccc(OCF)c(O)c1
InChIInChI=1S/C8H7FO3.C4H8/c9-5-12-8-2-1-6(4-10)3-7(8)11;1-4-2-3-4/h1-4,11H,5H2;4H,2-3H2,1H3
InChIKeyFIHBLROTOUFCNG-UHFFFAOYSA-N
XLogP2.93
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-4-octoxybenzaldehyde
CID 59691799
3-hydroxy-4-(3-methoxypropoxy)benzaldehyde
CID 86730352
3-hydroxy-4-methoxybenzaldehyde
CID 87256894
ethane;3-hydroxy-4-methoxybenzaldehyde
CID 145493378
3-fluoro-4-(2-hydroxycyclohexyl)oxybenzaldehyde
CID 107689607
3-(2-hydroxycyclohexyl)oxy-4-methoxybenzaldehyde
CID 60883976
4-(cyclopropylmethoxy)-3-fluorobenzaldehyde
CID 20794858
N-cyclopentyl-2-(2-fluoro-4-formylphenoxy)propanamide
CID 107689480
4-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethoxy]-3-methoxybenzaldehyde
CID 99991929
4-(4-formyl-2-hydroxyphenyl)-3-hydroxybenzaldehyde
CID 176967469
4-(cyclopropylmethoxy)-3-(difluoromethoxy)benzaldehyde
CID 19705426
N-cyclohexyl-2-(2-fluoro-4-formylphenoxy)propanamide
CID 107689513

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethoxy)-3-hydroxybenzaldehyde;methylcyclopropane?
The IUPAC name of 4-(fluoromethoxy)-3-hydroxybenzaldehyde;methylcyclopropane (CID 142097693) is 4-(fluoromethoxy)-3-hydroxybenzaldehyde;methylcyclopropane.
What is the SMILES notation for 4-(fluoromethoxy)-3-hydroxybenzaldehyde;methylcyclopropane?
The canonical SMILES for 4-(fluoromethoxy)-3-hydroxybenzaldehyde;methylcyclopropane is CC1CC1.O=Cc1ccc(OCF)c(O)c1.
What is the InChIKey of 4-(fluoromethoxy)-3-hydroxybenzaldehyde;methylcyclopropane?
The InChIKey is FIHBLROTOUFCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FO3.C4H8/c9-5-12-8-2-1-6(4-10)3-7(8)11;1-4-2-3-4/h1-4,11H,5H2;4H,2-3H2,1H3.
What are the key properties of 4-(fluoromethoxy)-3-hydroxybenzaldehyde;methylcyclopropane?
4-(fluoromethoxy)-3-hydroxybenzaldehyde;methylcyclopropane has a molecular weight of 226.25 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethoxy)-3-hydroxybenzaldehyde;methylcyclopropane is sourced from PubChem (CID 142097693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).