2-chloro-3-(4-hydroxybut-1-enyl)phenol

C10H11ClO2 — CID 170476157

IUPAC2-chloro-3-(4-hydroxybut-1-enyl)phenol
SMILESOCCC=Cc1cccc(O)c1Cl
InChIInChI=1S/C10H11ClO2/c11-10-8(4-1-2-7-12)5-3-6-9(10)13/h1,3-6,12-13H,2,7H2
InChIKeyMPIOVIUWFRLESD-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.44
Rot. Bonds3

About 2-chloro-3-(4-hydroxybut-1-enyl)phenol

2-chloro-3-(4-hydroxybut-1-enyl)phenol (PubChem CID 170476157) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is 2-chloro-3-(4-hydroxybut-1-enyl)phenol.

Molecular Properties

Compound Name2-chloro-3-(4-hydroxybut-1-enyl)phenol
PubChem CID170476157
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Name2-chloro-3-(4-hydroxybut-1-enyl)phenol
SMILESOCCC=Cc1cccc(O)c1Cl
InChIInChI=1S/C10H11ClO2/c11-10-8(4-1-2-7-12)5-3-6-9(10)13/h1,3-6,12-13H,2,7H2
InChIKeyMPIOVIUWFRLESD-UHFFFAOYSA-N
XLogP2.44
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(4-hydroxybut-1-enyl)phenol?
The IUPAC name of 2-chloro-3-(4-hydroxybut-1-enyl)phenol (CID 170476157) is 2-chloro-3-(4-hydroxybut-1-enyl)phenol.
What is the SMILES notation for 2-chloro-3-(4-hydroxybut-1-enyl)phenol?
The canonical SMILES for 2-chloro-3-(4-hydroxybut-1-enyl)phenol is OCCC=Cc1cccc(O)c1Cl.
What is the InChIKey of 2-chloro-3-(4-hydroxybut-1-enyl)phenol?
The InChIKey is MPIOVIUWFRLESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2/c11-10-8(4-1-2-7-12)5-3-6-9(10)13/h1,3-6,12-13H,2,7H2.
What are the key properties of 2-chloro-3-(4-hydroxybut-1-enyl)phenol?
2-chloro-3-(4-hydroxybut-1-enyl)phenol has a molecular weight of 198.65 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(4-hydroxybut-1-enyl)phenol is sourced from PubChem (CID 170476157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).