1-(5-fluoro-3,4-dimethoxy-2-methylphenyl)cyclopropan-1-ol

C12H15FO3 — CID 117325333

IUPAC1-(5-fluoro-3,4-dimethoxy-2-methylphenyl)cyclopropan-1-ol
SMILESCOc1c(F)cc(C2(O)CC2)c(C)c1OC
InChIInChI=1S/C12H15FO3/c1-7-8(12(14)4-5-12)6-9(13)11(16-3)10(7)15-2/h6,14H,4-5H2,1-3H3
InChIKeyNRVUYXJTAIEMOW-UHFFFAOYSA-N
MW226.25 g/mol
LogP2.13
Rot. Bonds3

About 1-(5-fluoro-3,4-dimethoxy-2-methylphenyl)cyclopropan-1-ol

1-(5-fluoro-3,4-dimethoxy-2-methylphenyl)cyclopropan-1-ol (PubChem CID 117325333) has the molecular formula C12H15FO3 and a molecular weight of 226.25 g/mol. Its IUPAC name is 1-(5-fluoro-3,4-dimethoxy-2-methylphenyl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(5-fluoro-3,4-dimethoxy-2-methylphenyl)cyclopropan-1-ol
PubChem CID117325333
Molecular FormulaC12H15FO3
Molecular Weight226.25 g/mol
Exact Mass226.10
IUPAC Name1-(5-fluoro-3,4-dimethoxy-2-methylphenyl)cyclopropan-1-ol
SMILESCOc1c(F)cc(C2(O)CC2)c(C)c1OC
InChIInChI=1S/C12H15FO3/c1-7-8(12(14)4-5-12)6-9(13)11(16-3)10(7)15-2/h6,14H,4-5H2,1-3H3
InChIKeyNRVUYXJTAIEMOW-UHFFFAOYSA-N
XLogP2.13
TPSA38.69 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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-3,4-dimethoxy-2-methylphenyl)cyclopentane-1-carboxylic acid
CID 117453646
1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopropan-1-ol
CID 84773917
1-fluoro-5-(1-isocyanatocyclopropyl)-2,3-dimethoxy-4-methylbenzene
CID 117380659
1-(4-bromo-5-fluoro-2-methoxyphenyl)cyclopropan-1-ol
CID 84806667
1-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]cyclopropan-1-ol
CID 117367345
1-(3-fluoro-2,5-dimethylphenyl)cyclopropan-1-ol
CID 84768148
4-(1-hydroxycyclopropyl)-3-methoxy-2,6-dimethylphenol
CID 84780188
5-fluoro-2-(1-hydroxycyclopropyl)-4-methoxyphenol
CID 117287689
1-(3-fluoro-2,6-dimethoxyphenyl)cyclopropan-1-ol
CID 117302785
6-chloro-2-fluoro-4-(1-hydroxycyclopropyl)-3-methoxyphenol
CID 84795724
1-[5-(1,1-difluoroethyl)-2,3-dimethoxyphenyl]cyclopropan-1-ol
CID 117398910
1-(4-methoxy-3,5-dimethylphenyl)cyclopropan-1-ol
CID 117283028

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3,4-dimethoxy-2-methylphenyl)cyclopropan-1-ol?
The IUPAC name of 1-(5-fluoro-3,4-dimethoxy-2-methylphenyl)cyclopropan-1-ol (CID 117325333) is 1-(5-fluoro-3,4-dimethoxy-2-methylphenyl)cyclopropan-1-ol.
What is the SMILES notation for 1-(5-fluoro-3,4-dimethoxy-2-methylphenyl)cyclopropan-1-ol?
The canonical SMILES for 1-(5-fluoro-3,4-dimethoxy-2-methylphenyl)cyclopropan-1-ol is COc1c(F)cc(C2(O)CC2)c(C)c1OC.
What is the InChIKey of 1-(5-fluoro-3,4-dimethoxy-2-methylphenyl)cyclopropan-1-ol?
The InChIKey is NRVUYXJTAIEMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO3/c1-7-8(12(14)4-5-12)6-9(13)11(16-3)10(7)15-2/h6,14H,4-5H2,1-3H3.
What are the key properties of 1-(5-fluoro-3,4-dimethoxy-2-methylphenyl)cyclopropan-1-ol?
1-(5-fluoro-3,4-dimethoxy-2-methylphenyl)cyclopropan-1-ol has a molecular weight of 226.25 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3,4-dimethoxy-2-methylphenyl)cyclopropan-1-ol is sourced from PubChem (CID 117325333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).