4-[(R)-(4-chloroanilino)-(2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)methyl]phenol

C16H17ClNO4P — CID 7038054

IUPAC4-[(R)-(4-chloroanilino)-(2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)methyl]phenol
SMILESO=P1([C@@H](Nc2ccc(Cl)cc2)c2ccc(O)cc2)OCCCO1
InChIInChI=1S/C16H17ClNO4P/c17-13-4-6-14(7-5-13)18-16(12-2-8-15(19)9-3-12)23(20)21-10-1-11-22-23/h2-9,16,18-19H,1,10-11H2/t16-/m1/s1
InChIKeyJNLZKYAXBGIADU-MRXNPFEDSA-N
MW353.74 g/mol
LogP4.79
Rot. Bonds4

About 4-[(R)-(4-chloroanilino)-(2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)methyl]phenol

4-[(R)-(4-chloroanilino)-(2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)methyl]phenol (PubChem CID 7038054) has the molecular formula C16H17ClNO4P and a molecular weight of 353.74 g/mol. Its IUPAC name is 4-[(R)-(4-chloroanilino)-(2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(R)-(4-chloroanilino)-(2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)methyl]phenol
PubChem CID7038054
Molecular FormulaC16H17ClNO4P
Molecular Weight353.74 g/mol
Exact Mass353.06
IUPAC Name4-[(R)-(4-chloroanilino)-(2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)methyl]phenol
SMILESO=P1([C@@H](Nc2ccc(Cl)cc2)c2ccc(O)cc2)OCCCO1
InChIInChI=1S/C16H17ClNO4P/c17-13-4-6-14(7-5-13)18-16(12-2-8-15(19)9-3-12)23(20)21-10-1-11-22-23/h2-9,16,18-19H,1,10-11H2/t16-/m1/s1
InChIKeyJNLZKYAXBGIADU-MRXNPFEDSA-N
XLogP4.79
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.74
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(R)-(4-chloroanilino)-(2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-(4-chloroanilino)-(2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)methyl]phenol?
The IUPAC name of 4-[(R)-(4-chloroanilino)-(2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)methyl]phenol (CID 7038054) is 4-[(R)-(4-chloroanilino)-(2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)methyl]phenol.
What is the SMILES notation for 4-[(R)-(4-chloroanilino)-(2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)methyl]phenol?
The canonical SMILES for 4-[(R)-(4-chloroanilino)-(2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)methyl]phenol is O=P1([C@@H](Nc2ccc(Cl)cc2)c2ccc(O)cc2)OCCCO1.
What is the InChIKey of 4-[(R)-(4-chloroanilino)-(2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)methyl]phenol?
The InChIKey is JNLZKYAXBGIADU-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H17ClNO4P/c17-13-4-6-14(7-5-13)18-16(12-2-8-15(19)9-3-12)23(20)21-10-1-11-22-23/h2-9,16,18-19H,1,10-11H2/t16-/m1/s1.
What are the key properties of 4-[(R)-(4-chloroanilino)-(2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)methyl]phenol?
4-[(R)-(4-chloroanilino)-(2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)methyl]phenol has a molecular weight of 353.74 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-(4-chloroanilino)-(2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)methyl]phenol is sourced from PubChem (CID 7038054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).