3-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]propan-1-ol

C11H14ClFO2 — CID 117337281

IUPAC3-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]propan-1-ol
SMILESCOCc1cc(Cl)c(F)c(CCCO)c1
InChIInChI=1S/C11H14ClFO2/c1-15-7-8-5-9(3-2-4-14)11(13)10(12)6-8/h5-6,14H,2-4,7H2,1H3
InChIKeyOOXUJAIWSHGLBE-UHFFFAOYSA-N
MW232.68 g/mol
LogP2.55
Rot. Bonds5

About 3-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]propan-1-ol

3-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]propan-1-ol (PubChem CID 117337281) has the molecular formula C11H14ClFO2 and a molecular weight of 232.68 g/mol. Its IUPAC name is 3-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]propan-1-ol
PubChem CID117337281
Molecular FormulaC11H14ClFO2
Molecular Weight232.68 g/mol
Exact Mass232.07
IUPAC Name3-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]propan-1-ol
SMILESCOCc1cc(Cl)c(F)c(CCCO)c1
InChIInChI=1S/C11H14ClFO2/c1-15-7-8-5-9(3-2-4-14)11(13)10(12)6-8/h5-6,14H,2-4,7H2,1H3
InChIKeyOOXUJAIWSHGLBE-UHFFFAOYSA-N
XLogP2.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.68
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]butan-1-amine
CID 117366823
4-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]butanoic acid
CID 117406092
2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethanamine
CID 117310384
O-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethyl]hydroxylamine
CID 117339599
3-(3,5-dichloro-4-fluorophenyl)propan-1-ol
CID 117318967
1-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethyl]piperazine
CID 117462551
3-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]propan-1-ol
CID 117363855
2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]-2-oxoacetic acid
CID 117369028
2-chloro-4-ethyl-6-(3-hydroxypropyl)phenol
CID 117305990
3-(3-chloro-5-ethyl-4-methoxyphenyl)propan-1-ol
CID 117329608
3-(3-chloro-2,5-difluoro-6-methoxyphenyl)propan-1-ol
CID 117345741
3-[3-(methoxymethyl)phenyl]propan-1-ol
CID 117278462

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]propan-1-ol?
The IUPAC name of 3-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]propan-1-ol (CID 117337281) is 3-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]propan-1-ol?
The canonical SMILES for 3-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]propan-1-ol is COCc1cc(Cl)c(F)c(CCCO)c1.
What is the InChIKey of 3-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]propan-1-ol?
The InChIKey is OOXUJAIWSHGLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFO2/c1-15-7-8-5-9(3-2-4-14)11(13)10(12)6-8/h5-6,14H,2-4,7H2,1H3.
What are the key properties of 3-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]propan-1-ol?
3-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]propan-1-ol has a molecular weight of 232.68 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]propan-1-ol is sourced from PubChem (CID 117337281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).