4-chloro-3-fluoro-2-(1-hydroxycyclopropyl)-5-methoxyphenol

C10H10ClFO3 — CID 84795728

IUPAC4-chloro-3-fluoro-2-(1-hydroxycyclopropyl)-5-methoxyphenol
SMILESCOc1cc(O)c(C2(O)CC2)c(F)c1Cl
InChIInChI=1S/C10H10ClFO3/c1-15-6-4-5(13)7(9(12)8(6)11)10(14)2-3-10/h4,13-14H,2-3H2,1H3
InChIKeyDKTSUHMCWHLNPE-UHFFFAOYSA-N
MW232.64 g/mol
LogP2.17
Rot. Bonds2

About 4-chloro-3-fluoro-2-(1-hydroxycyclopropyl)-5-methoxyphenol

4-chloro-3-fluoro-2-(1-hydroxycyclopropyl)-5-methoxyphenol (PubChem CID 84795728) has the molecular formula C10H10ClFO3 and a molecular weight of 232.64 g/mol. Its IUPAC name is 4-chloro-3-fluoro-2-(1-hydroxycyclopropyl)-5-methoxyphenol.

Molecular Properties

Compound Name4-chloro-3-fluoro-2-(1-hydroxycyclopropyl)-5-methoxyphenol
PubChem CID84795728
Molecular FormulaC10H10ClFO3
Molecular Weight232.64 g/mol
Exact Mass232.03
IUPAC Name4-chloro-3-fluoro-2-(1-hydroxycyclopropyl)-5-methoxyphenol
SMILESCOc1cc(O)c(C2(O)CC2)c(F)c1Cl
InChIInChI=1S/C10H10ClFO3/c1-15-6-4-5(13)7(9(12)8(6)11)10(14)2-3-10/h4,13-14H,2-3H2,1H3
InChIKeyDKTSUHMCWHLNPE-UHFFFAOYSA-N
XLogP2.17
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.64
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-(1-hydroxycyclopropyl)-4,5-dimethoxyphenol
CID 117363639
2-chloro-3-(1-hydroxycyclopropyl)-4,5-dimethoxyphenol
CID 117363638
5-fluoro-2-(1-hydroxycyclopropyl)-3-methoxyphenol
CID 117287688
2-chloro-5-(1-hydroxycyclopropyl)-3-methoxyphenol
CID 84783596
2-(1-hydroxycyclopropyl)-3-methoxy-5-(trifluoromethyl)phenol
CID 84803554
1-(2,6-difluoro-3-methoxyphenyl)cyclopropan-1-ol
CID 84775707
4-chloro-2-(1-hydroxycyclopropyl)-6-methoxy-3-methylphenol
CID 117329541
1-[1-(3-chloro-2,6-difluoro-4-methoxyphenyl)cyclopropyl]ethanamine
CID 117409100
3-chloro-2-(1-hydroxycyclopropyl)-6-methoxyphenol
CID 117305910
5-fluoro-2-(1-hydroxycyclopropyl)-4-methoxyphenol
CID 117287689
6-chloro-2-fluoro-4-(1-hydroxycyclopropyl)-3-methoxyphenol
CID 84795724
[1-(3-chloro-2,6-difluoro-4-methoxyphenyl)cyclopentyl]methanamine
CID 117441409

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-2-(1-hydroxycyclopropyl)-5-methoxyphenol?
The IUPAC name of 4-chloro-3-fluoro-2-(1-hydroxycyclopropyl)-5-methoxyphenol (CID 84795728) is 4-chloro-3-fluoro-2-(1-hydroxycyclopropyl)-5-methoxyphenol.
What is the SMILES notation for 4-chloro-3-fluoro-2-(1-hydroxycyclopropyl)-5-methoxyphenol?
The canonical SMILES for 4-chloro-3-fluoro-2-(1-hydroxycyclopropyl)-5-methoxyphenol is COc1cc(O)c(C2(O)CC2)c(F)c1Cl.
What is the InChIKey of 4-chloro-3-fluoro-2-(1-hydroxycyclopropyl)-5-methoxyphenol?
The InChIKey is DKTSUHMCWHLNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO3/c1-15-6-4-5(13)7(9(12)8(6)11)10(14)2-3-10/h4,13-14H,2-3H2,1H3.
What are the key properties of 4-chloro-3-fluoro-2-(1-hydroxycyclopropyl)-5-methoxyphenol?
4-chloro-3-fluoro-2-(1-hydroxycyclopropyl)-5-methoxyphenol has a molecular weight of 232.64 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluoro-2-(1-hydroxycyclopropyl)-5-methoxyphenol is sourced from PubChem (CID 84795728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).