3-(2-chloro-5-fluoro-3-methoxyphenyl)propan-1-ol

C10H12ClFO2 — CID 117311669

IUPAC3-(2-chloro-5-fluoro-3-methoxyphenyl)propan-1-ol
SMILESCOc1cc(F)cc(CCCO)c1Cl
InChIInChI=1S/C10H12ClFO2/c1-14-9-6-8(12)5-7(10(9)11)3-2-4-13/h5-6,13H,2-4H2,1H3
InChIKeyWGTXZTGKOCOXNA-UHFFFAOYSA-N
MW218.65 g/mol
LogP2.41
Rot. Bonds4

About 3-(2-chloro-5-fluoro-3-methoxyphenyl)propan-1-ol

3-(2-chloro-5-fluoro-3-methoxyphenyl)propan-1-ol (PubChem CID 117311669) has the molecular formula C10H12ClFO2 and a molecular weight of 218.65 g/mol. Its IUPAC name is 3-(2-chloro-5-fluoro-3-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(2-chloro-5-fluoro-3-methoxyphenyl)propan-1-ol
PubChem CID117311669
Molecular FormulaC10H12ClFO2
Molecular Weight218.65 g/mol
Exact Mass218.05
IUPAC Name3-(2-chloro-5-fluoro-3-methoxyphenyl)propan-1-ol
SMILESCOc1cc(F)cc(CCCO)c1Cl
InChIInChI=1S/C10H12ClFO2/c1-14-9-6-8(12)5-7(10(9)11)3-2-4-13/h5-6,13H,2-4H2,1H3
InChIKeyWGTXZTGKOCOXNA-UHFFFAOYSA-N
XLogP2.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.65
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-1-(chloromethyl)-5-fluoro-3-methoxybenzene
CID 171005344
5-fluoro-2-(3-hydroxypropyl)-3-methoxyphenol
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CID 117313548
3-(2-chloro-5-methoxy-3-methylphenyl)propan-1-ol
CID 117305985
5-chloro-4-(3-hydroxypropyl)-2-methoxyphenol
CID 117308657
2-fluoro-5-(3-hydroxypropyl)-4-methoxyphenol
CID 117289231
3-(5-chloro-3-fluoro-2-methoxyphenyl)propan-1-ol
CID 117311678
3-(5-ethyl-4-fluoro-2-methoxyphenyl)propan-1-ol
CID 117303114
3-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 117358684
4-(4-chloro-2-methoxyphenyl)butan-1-ol
CID 59192502
3-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]propan-1-ol
CID 117363855
2-(2-chloro-3,5-difluorophenyl)ethanol
CID 117283325

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-fluoro-3-methoxyphenyl)propan-1-ol?
The IUPAC name of 3-(2-chloro-5-fluoro-3-methoxyphenyl)propan-1-ol (CID 117311669) is 3-(2-chloro-5-fluoro-3-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-(2-chloro-5-fluoro-3-methoxyphenyl)propan-1-ol?
The canonical SMILES for 3-(2-chloro-5-fluoro-3-methoxyphenyl)propan-1-ol is COc1cc(F)cc(CCCO)c1Cl.
What is the InChIKey of 3-(2-chloro-5-fluoro-3-methoxyphenyl)propan-1-ol?
The InChIKey is WGTXZTGKOCOXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFO2/c1-14-9-6-8(12)5-7(10(9)11)3-2-4-13/h5-6,13H,2-4H2,1H3.
What are the key properties of 3-(2-chloro-5-fluoro-3-methoxyphenyl)propan-1-ol?
3-(2-chloro-5-fluoro-3-methoxyphenyl)propan-1-ol has a molecular weight of 218.65 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-5-fluoro-3-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 117311669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).