3-chloro-5-prop-1-en-2-ylphenol

C9H9ClO — CID 84653274

IUPAC3-chloro-5-prop-1-en-2-ylphenol
SMILESC=C(C)c1cc(O)cc(Cl)c1
InChIInChI=1S/C9H9ClO/c1-6(2)7-3-8(10)5-9(11)4-7/h3-5,11H,1H2,2H3
InChIKeyAIUNPUSAONZUHQ-UHFFFAOYSA-N
MW168.62 g/mol
LogP3.08
Rot. Bonds1

About 3-chloro-5-prop-1-en-2-ylphenol

3-chloro-5-prop-1-en-2-ylphenol (PubChem CID 84653274) has the molecular formula C9H9ClO and a molecular weight of 168.62 g/mol. Its IUPAC name is 3-chloro-5-prop-1-en-2-ylphenol.

Molecular Properties

Compound Name3-chloro-5-prop-1-en-2-ylphenol
PubChem CID84653274
Molecular FormulaC9H9ClO
Molecular Weight168.62 g/mol
Exact Mass168.03
IUPAC Name3-chloro-5-prop-1-en-2-ylphenol
SMILESC=C(C)c1cc(O)cc(Cl)c1
InChIInChI=1S/C9H9ClO/c1-6(2)7-3-8(10)5-9(11)4-7/h3-5,11H,1H2,2H3
InChIKeyAIUNPUSAONZUHQ-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-prop-1-en-2-ylphenol?
The IUPAC name of 3-chloro-5-prop-1-en-2-ylphenol (CID 84653274) is 3-chloro-5-prop-1-en-2-ylphenol.
What is the SMILES notation for 3-chloro-5-prop-1-en-2-ylphenol?
The canonical SMILES for 3-chloro-5-prop-1-en-2-ylphenol is C=C(C)c1cc(O)cc(Cl)c1.
What is the InChIKey of 3-chloro-5-prop-1-en-2-ylphenol?
The InChIKey is AIUNPUSAONZUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO/c1-6(2)7-3-8(10)5-9(11)4-7/h3-5,11H,1H2,2H3.
What are the key properties of 3-chloro-5-prop-1-en-2-ylphenol?
3-chloro-5-prop-1-en-2-ylphenol has a molecular weight of 168.62 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-prop-1-en-2-ylphenol is sourced from PubChem (CID 84653274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).