2-(2-chloro-1,3,2-dioxaphosphetan-4-yl)phenol

C7H6ClO3P — CID 141053024

IUPAC2-(2-chloro-1,3,2-dioxaphosphetan-4-yl)phenol
SMILESOc1ccccc1C1OP(Cl)O1
InChIInChI=1S/C7H6ClO3P/c8-12-10-7(11-12)5-3-1-2-4-6(5)9/h1-4,7,9H
InChIKeyMLGACJCMXUCROH-UHFFFAOYSA-N
MW204.55 g/mol
LogP2.90
Rot. Bonds1

About 2-(2-chloro-1,3,2-dioxaphosphetan-4-yl)phenol

2-(2-chloro-1,3,2-dioxaphosphetan-4-yl)phenol (PubChem CID 141053024) has the molecular formula C7H6ClO3P and a molecular weight of 204.55 g/mol. Its IUPAC name is 2-(2-chloro-1,3,2-dioxaphosphetan-4-yl)phenol.

Molecular Properties

Compound Name2-(2-chloro-1,3,2-dioxaphosphetan-4-yl)phenol
PubChem CID141053024
Molecular FormulaC7H6ClO3P
Molecular Weight204.55 g/mol
Exact Mass203.97
IUPAC Name2-(2-chloro-1,3,2-dioxaphosphetan-4-yl)phenol
SMILESOc1ccccc1C1OP(Cl)O1
InChIInChI=1S/C7H6ClO3P/c8-12-10-7(11-12)5-3-1-2-4-6(5)9/h1-4,7,9H
InChIKeyMLGACJCMXUCROH-UHFFFAOYSA-N
XLogP2.90
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.55
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-1,3,2-dioxaphosphetan-4-yl)phenol?
The IUPAC name of 2-(2-chloro-1,3,2-dioxaphosphetan-4-yl)phenol (CID 141053024) is 2-(2-chloro-1,3,2-dioxaphosphetan-4-yl)phenol.
What is the SMILES notation for 2-(2-chloro-1,3,2-dioxaphosphetan-4-yl)phenol?
The canonical SMILES for 2-(2-chloro-1,3,2-dioxaphosphetan-4-yl)phenol is Oc1ccccc1C1OP(Cl)O1.
What is the InChIKey of 2-(2-chloro-1,3,2-dioxaphosphetan-4-yl)phenol?
The InChIKey is MLGACJCMXUCROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClO3P/c8-12-10-7(11-12)5-3-1-2-4-6(5)9/h1-4,7,9H.
What are the key properties of 2-(2-chloro-1,3,2-dioxaphosphetan-4-yl)phenol?
2-(2-chloro-1,3,2-dioxaphosphetan-4-yl)phenol has a molecular weight of 204.55 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-1,3,2-dioxaphosphetan-4-yl)phenol is sourced from PubChem (CID 141053024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).