2-chloro-3-(1-hydroxycyclopropyl)-4,5-dimethoxyphenol

C11H13ClO4 — CID 117363638

IUPAC2-chloro-3-(1-hydroxycyclopropyl)-4,5-dimethoxyphenol
SMILESCOc1cc(O)c(Cl)c(C2(O)CC2)c1OC
InChIInChI=1S/C11H13ClO4/c1-15-7-5-6(13)9(12)8(10(7)16-2)11(14)3-4-11/h5,13-14H,3-4H2,1-2H3
InChIKeyDFZDOKBRIFTYCG-UHFFFAOYSA-N
MW244.67 g/mol
LogP2.04
Rot. Bonds3

About 2-chloro-3-(1-hydroxycyclopropyl)-4,5-dimethoxyphenol

2-chloro-3-(1-hydroxycyclopropyl)-4,5-dimethoxyphenol (PubChem CID 117363638) has the molecular formula C11H13ClO4 and a molecular weight of 244.67 g/mol. Its IUPAC name is 2-chloro-3-(1-hydroxycyclopropyl)-4,5-dimethoxyphenol.

Molecular Properties

Compound Name2-chloro-3-(1-hydroxycyclopropyl)-4,5-dimethoxyphenol
PubChem CID117363638
Molecular FormulaC11H13ClO4
Molecular Weight244.67 g/mol
Exact Mass244.05
IUPAC Name2-chloro-3-(1-hydroxycyclopropyl)-4,5-dimethoxyphenol
SMILESCOc1cc(O)c(Cl)c(C2(O)CC2)c1OC
InChIInChI=1S/C11H13ClO4/c1-15-7-5-6(13)9(12)8(10(7)16-2)11(14)3-4-11/h5,13-14H,3-4H2,1-2H3
InChIKeyDFZDOKBRIFTYCG-UHFFFAOYSA-N
XLogP2.04
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.67
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-(1-hydroxycyclopropyl)-4,5-dimethoxyphenol
CID 117363639
4-chloro-3-fluoro-2-(1-hydroxycyclopropyl)-5-methoxyphenol
CID 84795728
2-chloro-5-(1-hydroxycyclopropyl)-3-methoxyphenol
CID 84783596
3-[(1-aminocyclopropyl)methyl]-2-chloro-4,5-dimethoxyphenol
CID 117397604
2,4-dichloro-3,5-dimethoxyphenol
CID 154103285
3-bromo-2-(1-hydroxycyclopropyl)-5,6-dimethoxyphenol
CID 117466714
1-(6-bromo-2,3,4-trimethoxyphenyl)cyclopropan-1-ol
CID 117487902
4-chloro-2-(1-hydroxycyclopropyl)-6-methoxy-3-methylphenol
CID 117329541
5-fluoro-2-(1-hydroxycyclopropyl)-3-methoxyphenol
CID 117287688
3-chloro-2-(1-hydroxycyclopropyl)-6-methoxyphenol
CID 117305910
1-(3-fluoro-2,6-dimethoxyphenyl)cyclopropan-1-ol
CID 117302785
3-[1-(aminomethyl)cyclohexyl]-2-fluoro-4,5-dimethoxyphenol
CID 117455550

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(1-hydroxycyclopropyl)-4,5-dimethoxyphenol?
The IUPAC name of 2-chloro-3-(1-hydroxycyclopropyl)-4,5-dimethoxyphenol (CID 117363638) is 2-chloro-3-(1-hydroxycyclopropyl)-4,5-dimethoxyphenol.
What is the SMILES notation for 2-chloro-3-(1-hydroxycyclopropyl)-4,5-dimethoxyphenol?
The canonical SMILES for 2-chloro-3-(1-hydroxycyclopropyl)-4,5-dimethoxyphenol is COc1cc(O)c(Cl)c(C2(O)CC2)c1OC.
What is the InChIKey of 2-chloro-3-(1-hydroxycyclopropyl)-4,5-dimethoxyphenol?
The InChIKey is DFZDOKBRIFTYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO4/c1-15-7-5-6(13)9(12)8(10(7)16-2)11(14)3-4-11/h5,13-14H,3-4H2,1-2H3.
What are the key properties of 2-chloro-3-(1-hydroxycyclopropyl)-4,5-dimethoxyphenol?
2-chloro-3-(1-hydroxycyclopropyl)-4,5-dimethoxyphenol has a molecular weight of 244.67 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(1-hydroxycyclopropyl)-4,5-dimethoxyphenol is sourced from PubChem (CID 117363638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).