4-chloro-3-cyclopropylphenol

C9H9ClO — CID 140766194

IUPAC4-chloro-3-cyclopropylphenol
SMILESOc1ccc(Cl)c(C2CC2)c1
InChIInChI=1S/C9H9ClO/c10-9-4-3-7(11)5-8(9)6-1-2-6/h3-6,11H,1-2H2
InChIKeyNCRBYUMLSUJPCZ-UHFFFAOYSA-N
MW168.62 g/mol
LogP2.92
Rot. Bonds1

About 4-chloro-3-cyclopropylphenol

4-chloro-3-cyclopropylphenol (PubChem CID 140766194) has the molecular formula C9H9ClO and a molecular weight of 168.62 g/mol. Its IUPAC name is 4-chloro-3-cyclopropylphenol.

Molecular Properties

Compound Name4-chloro-3-cyclopropylphenol
PubChem CID140766194
Molecular FormulaC9H9ClO
Molecular Weight168.62 g/mol
Exact Mass168.03
IUPAC Name4-chloro-3-cyclopropylphenol
SMILESOc1ccc(Cl)c(C2CC2)c1
InChIInChI=1S/C9H9ClO/c10-9-4-3-7(11)5-8(9)6-1-2-6/h3-6,11H,1-2H2
InChIKeyNCRBYUMLSUJPCZ-UHFFFAOYSA-N
XLogP2.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.62
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-cyclopropylphenol?
The IUPAC name of 4-chloro-3-cyclopropylphenol (CID 140766194) is 4-chloro-3-cyclopropylphenol.
What is the SMILES notation for 4-chloro-3-cyclopropylphenol?
The canonical SMILES for 4-chloro-3-cyclopropylphenol is Oc1ccc(Cl)c(C2CC2)c1.
What is the InChIKey of 4-chloro-3-cyclopropylphenol?
The InChIKey is NCRBYUMLSUJPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO/c10-9-4-3-7(11)5-8(9)6-1-2-6/h3-6,11H,1-2H2.
What are the key properties of 4-chloro-3-cyclopropylphenol?
4-chloro-3-cyclopropylphenol has a molecular weight of 168.62 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-cyclopropylphenol is sourced from PubChem (CID 140766194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).