(3-chloro-4-fluorophenyl)-methoxymethanol

C8H8ClFO2 — CID 175241908

IUPAC(3-chloro-4-fluorophenyl)-methoxymethanol
SMILESCOC(O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C8H8ClFO2/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4,8,11H,1H3
InChIKeyCUDBGLDNPWDWGT-UHFFFAOYSA-N
MW190.60 g/mol
LogP2.12
Rot. Bonds2

About (3-chloro-4-fluorophenyl)-methoxymethanol

(3-chloro-4-fluorophenyl)-methoxymethanol (PubChem CID 175241908) has the molecular formula C8H8ClFO2 and a molecular weight of 190.60 g/mol. Its IUPAC name is (3-chloro-4-fluorophenyl)-methoxymethanol.

Molecular Properties

Compound Name(3-chloro-4-fluorophenyl)-methoxymethanol
PubChem CID175241908
Molecular FormulaC8H8ClFO2
Molecular Weight190.60 g/mol
Exact Mass190.02
IUPAC Name(3-chloro-4-fluorophenyl)-methoxymethanol
SMILESCOC(O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C8H8ClFO2/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4,8,11H,1H3
InChIKeyCUDBGLDNPWDWGT-UHFFFAOYSA-N
XLogP2.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.60
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-amino-4-fluorophenyl)-methoxymethanol
CID 123185481
(3-chloro-4-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 63094497
(3-chloro-4-fluorophenyl)-(4-propan-2-ylphenyl)methanol
CID 63094658
(1R,2R)-1-amino-1-(3-chloro-4-fluorophenyl)propan-2-ol
CID 130663904
(3-chloro-4-fluorophenyl)-(2-methoxyphenyl)methanol
CID 63094000
(1R,2S)-1-amino-1-(3-chloro-4-fluorophenyl)propan-2-ol;hydrochloride
CID 171159952
1-(3-chloro-4-fluorophenyl)-N-methoxyethanamine
CID 78968847
2-chloro-1-fluoro-4-(1-methoxypropan-2-yl)benzene
CID 130178989
(3R,4S)-4-(3-chloro-4-fluorophenyl)-3,4-dihydroxybutan-2-one
CID 101434989
(4-fluoro-3-nitrophenyl)-methoxymethanol
CID 174484275
1-(3-chloro-4-fluorophenyl)nonan-1-ol
CID 63414052
(1S)-2-bromo-1-(3-chloro-4-fluorophenyl)ethanol
CID 83001730

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-fluorophenyl)-methoxymethanol?
The IUPAC name of (3-chloro-4-fluorophenyl)-methoxymethanol (CID 175241908) is (3-chloro-4-fluorophenyl)-methoxymethanol.
What is the SMILES notation for (3-chloro-4-fluorophenyl)-methoxymethanol?
The canonical SMILES for (3-chloro-4-fluorophenyl)-methoxymethanol is COC(O)c1ccc(F)c(Cl)c1.
What is the InChIKey of (3-chloro-4-fluorophenyl)-methoxymethanol?
The InChIKey is CUDBGLDNPWDWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFO2/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4,8,11H,1H3.
What are the key properties of (3-chloro-4-fluorophenyl)-methoxymethanol?
(3-chloro-4-fluorophenyl)-methoxymethanol has a molecular weight of 190.60 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-fluorophenyl)-methoxymethanol is sourced from PubChem (CID 175241908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).