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

C10H12ClFO2 — CID 117311678

IUPAC3-(5-chloro-3-fluoro-2-methoxyphenyl)propan-1-ol
SMILESCOc1c(F)cc(Cl)cc1CCCO
InChIInChI=1S/C10H12ClFO2/c1-14-10-7(3-2-4-13)5-8(11)6-9(10)12/h5-6,13H,2-4H2,1H3
InChIKeyCPELUQVTIOQQOT-UHFFFAOYSA-N
MW218.65 g/mol
LogP2.41
Rot. Bonds4

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

3-(5-chloro-3-fluoro-2-methoxyphenyl)propan-1-ol (PubChem CID 117311678) has the molecular formula C10H12ClFO2 and a molecular weight of 218.65 g/mol. Its IUPAC name is 3-(5-chloro-3-fluoro-2-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(5-chloro-3-fluoro-2-methoxyphenyl)propan-1-ol
PubChem CID117311678
Molecular FormulaC10H12ClFO2
Molecular Weight218.65 g/mol
Exact Mass218.05
IUPAC Name3-(5-chloro-3-fluoro-2-methoxyphenyl)propan-1-ol
SMILESCOc1c(F)cc(Cl)cc1CCCO
InChIInChI=1S/C10H12ClFO2/c1-14-10-7(3-2-4-13)5-8(11)6-9(10)12/h5-6,13H,2-4H2,1H3
InChIKeyCPELUQVTIOQQOT-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

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CID 131593007
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CID 117400675
3-(4-chloro-2-fluorophenyl)propan-1-ol
CID 53425229
3-(5-chloro-3-fluoro-2-methoxyphenyl)-2,2-dimethylpropanoic acid
CID 117406150
4-(5-chloro-2-methoxyphenyl)butan-1-ol
CID 64513423
3-(2-chloro-5-fluoro-3-methoxyphenyl)propan-1-ol
CID 117311669
4-[5-chloro-2-methoxy-3-(trifluoromethyl)phenyl]butan-1-amine
CID 117452182
4-(4-chloro-2-methoxyphenyl)butan-1-ol
CID 59192502
1-bromo-5-chloro-3-fluoro-2-methoxybenzene
CID 3863039
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CID 117363636

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-3-fluoro-2-methoxyphenyl)propan-1-ol?
The IUPAC name of 3-(5-chloro-3-fluoro-2-methoxyphenyl)propan-1-ol (CID 117311678) is 3-(5-chloro-3-fluoro-2-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-(5-chloro-3-fluoro-2-methoxyphenyl)propan-1-ol?
The canonical SMILES for 3-(5-chloro-3-fluoro-2-methoxyphenyl)propan-1-ol is COc1c(F)cc(Cl)cc1CCCO.
What is the InChIKey of 3-(5-chloro-3-fluoro-2-methoxyphenyl)propan-1-ol?
The InChIKey is CPELUQVTIOQQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFO2/c1-14-10-7(3-2-4-13)5-8(11)6-9(10)12/h5-6,13H,2-4H2,1H3.
What are the key properties of 3-(5-chloro-3-fluoro-2-methoxyphenyl)propan-1-ol?
3-(5-chloro-3-fluoro-2-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-(5-chloro-3-fluoro-2-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 117311678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).