[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]methanol

C9H9ClF2O2 — CID 117318845

IUPAC[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]methanol
SMILESCOCc1c(Cl)cc(CO)c(F)c1F
InChIInChI=1S/C9H9ClF2O2/c1-14-4-6-7(10)2-5(3-13)8(11)9(6)12/h2,13H,3-4H2,1H3
InChIKeyZWQRSAJSWOAFSC-UHFFFAOYSA-N
MW222.62 g/mol
LogP2.26
Rot. Bonds3

About [5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]methanol

[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]methanol (PubChem CID 117318845) has the molecular formula C9H9ClF2O2 and a molecular weight of 222.62 g/mol. Its IUPAC name is [5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]methanol.

Molecular Properties

Compound Name[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]methanol
PubChem CID117318845
Molecular FormulaC9H9ClF2O2
Molecular Weight222.62 g/mol
Exact Mass222.03
IUPAC Name[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]methanol
SMILESCOCc1c(Cl)cc(CO)c(F)c1F
InChIInChI=1S/C9H9ClF2O2/c1-14-4-6-7(10)2-5(3-13)8(11)9(6)12/h2,13H,3-4H2,1H3
InChIKeyZWQRSAJSWOAFSC-UHFFFAOYSA-N
XLogP2.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.62
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]-2-methylpropanoic acid
CID 117446921
2-[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]propan-2-ol
CID 117380036
methanol;bis([2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methanol);zirconium
CID 23078050
(4,5-dichloro-2-fluoro-3-methylphenyl)methanol
CID 163198260
[4-chloro-2-fluoro-3-(methoxymethyl)phenyl]boronic acid
CID 164890773
[1-[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]cyclopentyl]methanamine
CID 117468012
2-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]propan-2-ol
CID 117337279
N-[[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]methyl]hydroxylamine
CID 117313592
2-[3,5-dichloro-4-(methoxymethyl)phenyl]propan-2-ol
CID 540635
3-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]propan-1-ol
CID 117337281
1-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]propan-2-ol
CID 117337294
[5-[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117490084

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]methanol?
The IUPAC name of [5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]methanol (CID 117318845) is [5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]methanol.
What is the SMILES notation for [5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]methanol?
The canonical SMILES for [5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]methanol is COCc1c(Cl)cc(CO)c(F)c1F.
What is the InChIKey of [5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]methanol?
The InChIKey is ZWQRSAJSWOAFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF2O2/c1-14-4-6-7(10)2-5(3-13)8(11)9(6)12/h2,13H,3-4H2,1H3.
What are the key properties of [5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]methanol?
[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]methanol has a molecular weight of 222.62 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]methanol is sourced from PubChem (CID 117318845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).