[4-(cyclopropylmethoxymethoxy)-3,5-difluorophenyl]methanol

C12H14F2O3 — CID 106929822

IUPAC[4-(cyclopropylmethoxymethoxy)-3,5-difluorophenyl]methanol
SMILESOCc1cc(F)c(OCOCC2CC2)c(F)c1
InChIInChI=1S/C12H14F2O3/c13-10-3-9(5-15)4-11(14)12(10)17-7-16-6-8-1-2-8/h3-4,8,15H,1-2,5-7H2
InChIKeyXWVRBTSOMIAGBU-UHFFFAOYSA-N
MW244.24 g/mol
LogP2.22
Rot. Bonds6

About [4-(cyclopropylmethoxymethoxy)-3,5-difluorophenyl]methanol

[4-(cyclopropylmethoxymethoxy)-3,5-difluorophenyl]methanol (PubChem CID 106929822) has the molecular formula C12H14F2O3 and a molecular weight of 244.24 g/mol. Its IUPAC name is [4-(cyclopropylmethoxymethoxy)-3,5-difluorophenyl]methanol.

Molecular Properties

Compound Name[4-(cyclopropylmethoxymethoxy)-3,5-difluorophenyl]methanol
PubChem CID106929822
Molecular FormulaC12H14F2O3
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Name[4-(cyclopropylmethoxymethoxy)-3,5-difluorophenyl]methanol
SMILESOCc1cc(F)c(OCOCC2CC2)c(F)c1
InChIInChI=1S/C12H14F2O3/c13-10-3-9(5-15)4-11(14)12(10)17-7-16-6-8-1-2-8/h3-4,8,15H,1-2,5-7H2
InChIKeyXWVRBTSOMIAGBU-UHFFFAOYSA-N
XLogP2.22
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[3-(cyclopropylmethoxymethoxy)phenyl]methanol
CID 106929767
5-(bromomethyl)-2-(cyclopropylmethoxy)-1,3-difluorobenzene
CID 79887966
[3-bromo-4-(cyclopropylmethoxymethoxy)phenyl]methanol
CID 106929795
(4-cyclopropyloxy-3,5-difluorophenyl)methanol
CID 126982122
1,3-dibromo-5-(bromomethyl)-2-(cyclopropylmethoxymethoxy)benzene
CID 107745625
2-[2-(cyclopropylmethoxymethoxy)-3-fluorophenyl]ethanamine
CID 106930366
[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3,5-difluorophenyl]methanol
CID 79887957
5-(chloromethyl)-2-(cyclopropylmethoxymethoxy)-1,3-dimethoxybenzene
CID 106929889
[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 79888258
N-cyclopropyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]acetamide
CID 79887948
[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-3,5-difluorophenyl]methanol
CID 79887800
N-cyclopentyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]acetamide
CID 79888270

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethoxymethoxy)-3,5-difluorophenyl]methanol?
The IUPAC name of [4-(cyclopropylmethoxymethoxy)-3,5-difluorophenyl]methanol (CID 106929822) is [4-(cyclopropylmethoxymethoxy)-3,5-difluorophenyl]methanol.
What is the SMILES notation for [4-(cyclopropylmethoxymethoxy)-3,5-difluorophenyl]methanol?
The canonical SMILES for [4-(cyclopropylmethoxymethoxy)-3,5-difluorophenyl]methanol is OCc1cc(F)c(OCOCC2CC2)c(F)c1.
What is the InChIKey of [4-(cyclopropylmethoxymethoxy)-3,5-difluorophenyl]methanol?
The InChIKey is XWVRBTSOMIAGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O3/c13-10-3-9(5-15)4-11(14)12(10)17-7-16-6-8-1-2-8/h3-4,8,15H,1-2,5-7H2.
What are the key properties of [4-(cyclopropylmethoxymethoxy)-3,5-difluorophenyl]methanol?
[4-(cyclopropylmethoxymethoxy)-3,5-difluorophenyl]methanol has a molecular weight of 244.24 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethoxymethoxy)-3,5-difluorophenyl]methanol is sourced from PubChem (CID 106929822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).