2-chloro-4-(2-hydroxyethyl)phenol;furan-2-carbaldehyde

C13H13ClO4 — CID 88776211

IUPAC2-chloro-4-(2-hydroxyethyl)phenol;furan-2-carbaldehyde
SMILESO=Cc1ccco1.OCCc1ccc(O)c(Cl)c1
InChIInChI=1S/C8H9ClO2.C5H4O2/c9-7-5-6(3-4-10)1-2-8(7)11;6-4-5-2-1-3-7-5/h1-2,5,10-11H,3-4H2;1-4H
InChIKeyAJZPIVRUOMSPHD-UHFFFAOYSA-N
MW268.70 g/mol
LogP2.67
Rot. Bonds3

About 2-chloro-4-(2-hydroxyethyl)phenol;furan-2-carbaldehyde

2-chloro-4-(2-hydroxyethyl)phenol;furan-2-carbaldehyde (PubChem CID 88776211) has the molecular formula C13H13ClO4 and a molecular weight of 268.70 g/mol. Its IUPAC name is 2-chloro-4-(2-hydroxyethyl)phenol;furan-2-carbaldehyde.

Molecular Properties

Compound Name2-chloro-4-(2-hydroxyethyl)phenol;furan-2-carbaldehyde
PubChem CID88776211
Molecular FormulaC13H13ClO4
Molecular Weight268.70 g/mol
Exact Mass268.05
IUPAC Name2-chloro-4-(2-hydroxyethyl)phenol;furan-2-carbaldehyde
SMILESO=Cc1ccco1.OCCc1ccc(O)c(Cl)c1
InChIInChI=1S/C8H9ClO2.C5H4O2/c9-7-5-6(3-4-10)1-2-8(7)11;6-4-5-2-1-3-7-5/h1-2,5,10-11H,3-4H2;1-4H
InChIKeyAJZPIVRUOMSPHD-UHFFFAOYSA-N
XLogP2.67
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-hydroxyethyl)phenol;furan-2-carbaldehyde?
The IUPAC name of 2-chloro-4-(2-hydroxyethyl)phenol;furan-2-carbaldehyde (CID 88776211) is 2-chloro-4-(2-hydroxyethyl)phenol;furan-2-carbaldehyde.
What is the SMILES notation for 2-chloro-4-(2-hydroxyethyl)phenol;furan-2-carbaldehyde?
The canonical SMILES for 2-chloro-4-(2-hydroxyethyl)phenol;furan-2-carbaldehyde is O=Cc1ccco1.OCCc1ccc(O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(2-hydroxyethyl)phenol;furan-2-carbaldehyde?
The InChIKey is AJZPIVRUOMSPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO2.C5H4O2/c9-7-5-6(3-4-10)1-2-8(7)11;6-4-5-2-1-3-7-5/h1-2,5,10-11H,3-4H2;1-4H.
What are the key properties of 2-chloro-4-(2-hydroxyethyl)phenol;furan-2-carbaldehyde?
2-chloro-4-(2-hydroxyethyl)phenol;furan-2-carbaldehyde has a molecular weight of 268.70 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-hydroxyethyl)phenol;furan-2-carbaldehyde is sourced from PubChem (CID 88776211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).