5-chloro-2-cyclobutyloxy-3-methoxyphenol

C11H13ClO3 — CID 84692205

IUPAC5-chloro-2-cyclobutyloxy-3-methoxyphenol
SMILESCOc1cc(Cl)cc(O)c1OC1CCC1
InChIInChI=1S/C11H13ClO3/c1-14-10-6-7(12)5-9(13)11(10)15-8-3-2-4-8/h5-6,8,13H,2-4H2,1H3
InChIKeyWCSWAEMJNGSWIX-UHFFFAOYSA-N
MW228.67 g/mol
LogP2.99
Rot. Bonds3

About 5-chloro-2-cyclobutyloxy-3-methoxyphenol

5-chloro-2-cyclobutyloxy-3-methoxyphenol (PubChem CID 84692205) has the molecular formula C11H13ClO3 and a molecular weight of 228.67 g/mol. Its IUPAC name is 5-chloro-2-cyclobutyloxy-3-methoxyphenol.

Molecular Properties

Compound Name5-chloro-2-cyclobutyloxy-3-methoxyphenol
PubChem CID84692205
Molecular FormulaC11H13ClO3
Molecular Weight228.67 g/mol
Exact Mass228.06
IUPAC Name5-chloro-2-cyclobutyloxy-3-methoxyphenol
SMILESCOc1cc(Cl)cc(O)c1OC1CCC1
InChIInChI=1S/C11H13ClO3/c1-14-10-6-7(12)5-9(13)11(10)15-8-3-2-4-8/h5-6,8,13H,2-4H2,1H3
InChIKeyWCSWAEMJNGSWIX-UHFFFAOYSA-N
XLogP2.99
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.67
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-cyclobutyloxy-3-methoxyphenol
CID 84713521
1-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)cyclopropan-1-ol
CID 117454602
5-chloro-2-cyclohexyloxy-3-methoxybenzoic acid
CID 113438795
3-chloro-4-cyclopentyloxy-5-methoxyphenol
CID 84703480
O-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]hydroxylamine
CID 117397784
1-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)-N-methoxymethanamine
CID 117432330
1-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)cyclopentan-1-amine
CID 117494437
4-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)butanoic acid
CID 117481287
2-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)piperidine
CID 117494554
(E)-3-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)prop-2-en-1-amine
CID 117423212
5-chloro-3-methoxy-2-(3-methoxycyclohexyl)oxybenzaldehyde
CID 104665311
5-chloro-2-ethoxy-3-methoxyphenol
CID 121210338

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-cyclobutyloxy-3-methoxyphenol?
The IUPAC name of 5-chloro-2-cyclobutyloxy-3-methoxyphenol (CID 84692205) is 5-chloro-2-cyclobutyloxy-3-methoxyphenol.
What is the SMILES notation for 5-chloro-2-cyclobutyloxy-3-methoxyphenol?
The canonical SMILES for 5-chloro-2-cyclobutyloxy-3-methoxyphenol is COc1cc(Cl)cc(O)c1OC1CCC1.
What is the InChIKey of 5-chloro-2-cyclobutyloxy-3-methoxyphenol?
The InChIKey is WCSWAEMJNGSWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO3/c1-14-10-6-7(12)5-9(13)11(10)15-8-3-2-4-8/h5-6,8,13H,2-4H2,1H3.
What are the key properties of 5-chloro-2-cyclobutyloxy-3-methoxyphenol?
5-chloro-2-cyclobutyloxy-3-methoxyphenol has a molecular weight of 228.67 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-cyclobutyloxy-3-methoxyphenol is sourced from PubChem (CID 84692205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).