1-[[3,5-difluoro-4-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol

C12H14F2O2 — CID 117328603

IUPAC1-[[3,5-difluoro-4-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol
SMILESCOCc1c(F)cc(CC2(O)CC2)cc1F
InChIInChI=1S/C12H14F2O2/c1-16-7-9-10(13)4-8(5-11(9)14)6-12(15)2-3-12/h4-5,15H,2-3,6-7H2,1H3
InChIKeyICWKGTDPUKLEIG-UHFFFAOYSA-N
MW228.24 g/mol
LogP2.18
Rot. Bonds4

About 1-[[3,5-difluoro-4-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol

1-[[3,5-difluoro-4-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol (PubChem CID 117328603) has the molecular formula C12H14F2O2 and a molecular weight of 228.24 g/mol. Its IUPAC name is 1-[[3,5-difluoro-4-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[[3,5-difluoro-4-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol
PubChem CID117328603
Molecular FormulaC12H14F2O2
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name1-[[3,5-difluoro-4-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol
SMILESCOCc1c(F)cc(CC2(O)CC2)cc1F
InChIInChI=1S/C12H14F2O2/c1-16-7-9-10(13)4-8(5-11(9)14)6-12(15)2-3-12/h4-5,15H,2-3,6-7H2,1H3
InChIKeyICWKGTDPUKLEIG-UHFFFAOYSA-N
XLogP2.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[[3,5-difluoro-4-(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-[[3-fluoro-4-(fluoromethyl)-5-methylphenyl]methyl]cyclopropan-1-ol
CID 117302979
1-[(3,5-dimethoxyphenyl)methyl]cyclopropan-1-ol
CID 117297692
1-[3,5-difluoro-4-(methoxymethyl)phenyl]propan-2-ol
CID 117307929
1-[[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol
CID 117353256
1-[[3,6-dimethoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol
CID 117384074
[2,6-difluoro-4-(methoxymethyl)phenyl]methanol
CID 130130923
1-[(3-fluoro-4-methoxyphenyl)methyl]cyclobutan-1-ol
CID 79080855
1-[(3-chloro-4-fluoro-5-methoxyphenyl)methyl]cyclopropan-1-ol
CID 117333318
1-[(3-bromo-4-chloro-5-fluorophenyl)methyl]cyclopropan-1-ol
CID 117448563
1-[(3,5-dichloro-4-fluorophenyl)methyl]cyclopropan-1-ol
CID 117341493
3-[3,5-difluoro-4-(methoxymethyl)phenyl]-2,2-dimethylpropanoic acid
CID 117398966
[1-[3,5-difluoro-4-(methoxymethyl)phenyl]cyclopentyl]methanamine
CID 117391287

Frequently Asked Questions

What is the IUPAC name of 1-[[3,5-difluoro-4-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol?
The IUPAC name of 1-[[3,5-difluoro-4-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol (CID 117328603) is 1-[[3,5-difluoro-4-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[[3,5-difluoro-4-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[[3,5-difluoro-4-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol is COCc1c(F)cc(CC2(O)CC2)cc1F.
What is the InChIKey of 1-[[3,5-difluoro-4-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol?
The InChIKey is ICWKGTDPUKLEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O2/c1-16-7-9-10(13)4-8(5-11(9)14)6-12(15)2-3-12/h4-5,15H,2-3,6-7H2,1H3.
What are the key properties of 1-[[3,5-difluoro-4-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol?
1-[[3,5-difluoro-4-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol has a molecular weight of 228.24 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3,5-difluoro-4-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol is sourced from PubChem (CID 117328603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).