1-[[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol

C13H17FO3 — CID 117353256

IUPAC1-[[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol
SMILESCOCc1cc(F)cc(OC)c1CC1(O)CC1
InChIInChI=1S/C13H17FO3/c1-16-8-9-5-10(14)6-12(17-2)11(9)7-13(15)3-4-13/h5-6,15H,3-4,7-8H2,1-2H3
InChIKeyNUNLZJQBBZUDQJ-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.05
Rot. Bonds5

About 1-[[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol

1-[[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol (PubChem CID 117353256) has the molecular formula C13H17FO3 and a molecular weight of 240.27 g/mol. Its IUPAC name is 1-[[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol
PubChem CID117353256
Molecular FormulaC13H17FO3
Molecular Weight240.27 g/mol
Exact Mass240.12
IUPAC Name1-[[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol
SMILESCOCc1cc(F)cc(OC)c1CC1(O)CC1
InChIInChI=1S/C13H17FO3/c1-16-8-9-5-10(14)6-12(17-2)11(9)7-13(15)3-4-13/h5-6,15H,3-4,7-8H2,1-2H3
InChIKeyNUNLZJQBBZUDQJ-UHFFFAOYSA-N
XLogP2.05
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-ethyl-5-fluoro-3-methoxyphenyl)methyl]cyclopropan-1-ol
CID 117322147
4-fluoro-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol
CID 117302776
1-[[3,6-dimethoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol
CID 117384074
1-[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]-2-methylpropan-2-amine
CID 117355423
2-[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]-N-methylethanamine
CID 117327131
1-[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]cyclobutane-1-carboxylic acid
CID 117424259
1-[[3,5-difluoro-4-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol
CID 117328603
3-[(1-hydroxycyclopropyl)methyl]-4-methoxyphenol
CID 117284575
1-[(2-bromo-3,6-dimethoxyphenyl)methyl]cyclopropan-1-ol
CID 117462925
1-[3,5-dimethoxy-4-(methoxymethyl)phenyl]cyclopropan-1-ol
CID 117349197
3-ethyl-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol
CID 117318322
methyl 4-hydroxy-5-[(1-hydroxycyclopropyl)methyl]-2-methoxybenzoate
CID 117383572

Frequently Asked Questions

What is the IUPAC name of 1-[[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol?
The IUPAC name of 1-[[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol (CID 117353256) is 1-[[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol is COCc1cc(F)cc(OC)c1CC1(O)CC1.
What is the InChIKey of 1-[[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol?
The InChIKey is NUNLZJQBBZUDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO3/c1-16-8-9-5-10(14)6-12(17-2)11(9)7-13(15)3-4-13/h5-6,15H,3-4,7-8H2,1-2H3.
What are the key properties of 1-[[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol?
1-[[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol has a molecular weight of 240.27 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol is sourced from PubChem (CID 117353256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).