1-[4-(cyclopropylmethoxymethoxy)-3-fluorophenyl]ethanol

C13H17FO3 — CID 106929835

IUPAC1-[4-(cyclopropylmethoxymethoxy)-3-fluorophenyl]ethanol
SMILESCC(O)c1ccc(OCOCC2CC2)c(F)c1
InChIInChI=1S/C13H17FO3/c1-9(15)11-4-5-13(12(14)6-11)17-8-16-7-10-2-3-10/h4-6,9-10,15H,2-3,7-8H2,1H3
InChIKeyDMOHLRUSTYYEMR-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.64
Rot. Bonds6

About 1-[4-(cyclopropylmethoxymethoxy)-3-fluorophenyl]ethanol

1-[4-(cyclopropylmethoxymethoxy)-3-fluorophenyl]ethanol (PubChem CID 106929835) has the molecular formula C13H17FO3 and a molecular weight of 240.27 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethoxymethoxy)-3-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[4-(cyclopropylmethoxymethoxy)-3-fluorophenyl]ethanol
PubChem CID106929835
Molecular FormulaC13H17FO3
Molecular Weight240.27 g/mol
Exact Mass240.12
IUPAC Name1-[4-(cyclopropylmethoxymethoxy)-3-fluorophenyl]ethanol
SMILESCC(O)c1ccc(OCOCC2CC2)c(F)c1
InChIInChI=1S/C13H17FO3/c1-9(15)11-4-5-13(12(14)6-11)17-8-16-7-10-2-3-10/h4-6,9-10,15H,2-3,7-8H2,1H3
InChIKeyDMOHLRUSTYYEMR-UHFFFAOYSA-N
XLogP2.64
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.64
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

(1S)-1-[4-(2-cyclopentylethoxy)-3-fluorophenyl]ethanol
CID 114191389
2-[4-(cyclopropylmethoxy)-3-fluorophenyl]propan-1-amine
CID 117320100
1-[3-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
CID 103410324
1-[2-(cyclopropylmethoxymethoxy)-4-methylphenyl]ethanol
CID 106929817
1-(4-butoxy-3-fluorophenyl)ethanol
CID 91636248
1-[3-chloro-4-(cyclopropylmethoxymethoxy)phenyl]ethanamine
CID 106929435
(1R)-1-[4-bromo-2-(cyclopropylmethoxymethoxy)phenyl]ethanol
CID 106929847
(1R)-1-[3-fluoro-4-(4-methoxybutoxy)phenyl]ethanol
CID 104648044
[2-(cyclopropylmethoxymethoxy)-5-fluorophenyl]boronic acid
CID 106929966
(1S)-1-[4-(cyclopentylmethoxy)-3-fluorophenyl]ethanamine
CID 79034595
1-[[2-fluoro-4-(1-hydroxyethyl)phenoxy]methyl]cyclopentan-1-ol
CID 113389597
1-(3-fluoro-4-phenylmethoxyphenyl)ethanol
CID 115582207

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethoxymethoxy)-3-fluorophenyl]ethanol?
The IUPAC name of 1-[4-(cyclopropylmethoxymethoxy)-3-fluorophenyl]ethanol (CID 106929835) is 1-[4-(cyclopropylmethoxymethoxy)-3-fluorophenyl]ethanol.
What is the SMILES notation for 1-[4-(cyclopropylmethoxymethoxy)-3-fluorophenyl]ethanol?
The canonical SMILES for 1-[4-(cyclopropylmethoxymethoxy)-3-fluorophenyl]ethanol is CC(O)c1ccc(OCOCC2CC2)c(F)c1.
What is the InChIKey of 1-[4-(cyclopropylmethoxymethoxy)-3-fluorophenyl]ethanol?
The InChIKey is DMOHLRUSTYYEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO3/c1-9(15)11-4-5-13(12(14)6-11)17-8-16-7-10-2-3-10/h4-6,9-10,15H,2-3,7-8H2,1H3.
What are the key properties of 1-[4-(cyclopropylmethoxymethoxy)-3-fluorophenyl]ethanol?
1-[4-(cyclopropylmethoxymethoxy)-3-fluorophenyl]ethanol has a molecular weight of 240.27 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethoxymethoxy)-3-fluorophenyl]ethanol is sourced from PubChem (CID 106929835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).