3-chloro-5-ethoxy-4-methoxyphenol

C9H11ClO3 — CID 121210329

IUPAC3-chloro-5-ethoxy-4-methoxyphenol
SMILESCCOc1cc(O)cc(Cl)c1OC
InChIInChI=1S/C9H11ClO3/c1-3-13-8-5-6(11)4-7(10)9(8)12-2/h4-5,11H,3H2,1-2H3
InChIKeyWKVDLLOWKAXJGO-UHFFFAOYSA-N
MW202.64 g/mol
LogP2.45
Rot. Bonds3

About 3-chloro-5-ethoxy-4-methoxyphenol

3-chloro-5-ethoxy-4-methoxyphenol (PubChem CID 121210329) has the molecular formula C9H11ClO3 and a molecular weight of 202.64 g/mol. Its IUPAC name is 3-chloro-5-ethoxy-4-methoxyphenol.

Molecular Properties

Compound Name3-chloro-5-ethoxy-4-methoxyphenol
PubChem CID121210329
Molecular FormulaC9H11ClO3
Molecular Weight202.64 g/mol
Exact Mass202.04
IUPAC Name3-chloro-5-ethoxy-4-methoxyphenol
SMILESCCOc1cc(O)cc(Cl)c1OC
InChIInChI=1S/C9H11ClO3/c1-3-13-8-5-6(11)4-7(10)9(8)12-2/h4-5,11H,3H2,1-2H3
InChIKeyWKVDLLOWKAXJGO-UHFFFAOYSA-N
XLogP2.45
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4,5-triethoxyphenol
CID 19754898
1-(3-chloro-5-ethoxy-4-methoxyphenyl)propan-1-one
CID 83952614
(NZ)-N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine
CID 5412015
3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-en-1-ol
CID 79334314
1-chloro-3-ethoxy-2-methoxy-5-nitrobenzene
CID 125116075
(E)-4-(3-chloro-5-ethoxy-4-methoxyphenyl)but-3-en-2-ol
CID 113360081
3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-ethylprop-2-enamide
CID 75266195
1-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylamino]-2-methylpropan-2-ol
CID 119128569
N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17292224
3,5-dichloro-4-ethoxyphenol;6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene
CID 67576565
3-chloro-N'-(4-ethoxy-3-methoxybenzoyl)-4,5-dimethoxybenzohydrazide
CID 9439809
4-(3-chloro-5-ethoxy-4-methoxyphenyl)but-3-en-1-amine
CID 76996980

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-ethoxy-4-methoxyphenol?
The IUPAC name of 3-chloro-5-ethoxy-4-methoxyphenol (CID 121210329) is 3-chloro-5-ethoxy-4-methoxyphenol.
What is the SMILES notation for 3-chloro-5-ethoxy-4-methoxyphenol?
The canonical SMILES for 3-chloro-5-ethoxy-4-methoxyphenol is CCOc1cc(O)cc(Cl)c1OC.
What is the InChIKey of 3-chloro-5-ethoxy-4-methoxyphenol?
The InChIKey is WKVDLLOWKAXJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO3/c1-3-13-8-5-6(11)4-7(10)9(8)12-2/h4-5,11H,3H2,1-2H3.
What are the key properties of 3-chloro-5-ethoxy-4-methoxyphenol?
3-chloro-5-ethoxy-4-methoxyphenol has a molecular weight of 202.64 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-ethoxy-4-methoxyphenol is sourced from PubChem (CID 121210329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).