[4-[(1S)-1-chloro-1-(4-methoxyphenyl)ethyl]phenoxy]phosphane

C15H16ClO2P — CID 71129441

IUPAC[4-[(1S)-1-chloro-1-(4-methoxyphenyl)ethyl]phenoxy]phosphane
SMILESCOc1ccc([C@](C)(Cl)c2ccc(OP)cc2)cc1
InChIInChI=1S/C15H16ClO2P/c1-15(16,11-3-7-13(17-2)8-4-11)12-5-9-14(18-19)10-6-12/h3-10H,19H2,1-2H3/t15-/m0/s1
InChIKeyAMPFLSAGLLTYEA-HNNXBMFYSA-N
MW294.72 g/mol
LogP4.37
Rot. Bonds4

About [4-[(1S)-1-chloro-1-(4-methoxyphenyl)ethyl]phenoxy]phosphane

[4-[(1S)-1-chloro-1-(4-methoxyphenyl)ethyl]phenoxy]phosphane (PubChem CID 71129441) has the molecular formula C15H16ClO2P and a molecular weight of 294.72 g/mol. Its IUPAC name is [4-[(1S)-1-chloro-1-(4-methoxyphenyl)ethyl]phenoxy]phosphane.

Molecular Properties

Compound Name[4-[(1S)-1-chloro-1-(4-methoxyphenyl)ethyl]phenoxy]phosphane
PubChem CID71129441
Molecular FormulaC15H16ClO2P
Molecular Weight294.72 g/mol
Exact Mass294.06
IUPAC Name[4-[(1S)-1-chloro-1-(4-methoxyphenyl)ethyl]phenoxy]phosphane
SMILESCOc1ccc([C@](C)(Cl)c2ccc(OP)cc2)cc1
InChIInChI=1S/C15H16ClO2P/c1-15(16,11-3-7-13(17-2)8-4-11)12-5-9-14(18-19)10-6-12/h3-10H,19H2,1-2H3/t15-/m0/s1
InChIKeyAMPFLSAGLLTYEA-HNNXBMFYSA-N
XLogP4.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.72
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[(1S)-1-chloro-1-(4-methoxyphenyl)ethyl]phenoxy]phosphane?
The IUPAC name of [4-[(1S)-1-chloro-1-(4-methoxyphenyl)ethyl]phenoxy]phosphane (CID 71129441) is [4-[(1S)-1-chloro-1-(4-methoxyphenyl)ethyl]phenoxy]phosphane.
What is the SMILES notation for [4-[(1S)-1-chloro-1-(4-methoxyphenyl)ethyl]phenoxy]phosphane?
The canonical SMILES for [4-[(1S)-1-chloro-1-(4-methoxyphenyl)ethyl]phenoxy]phosphane is COc1ccc([C@](C)(Cl)c2ccc(OP)cc2)cc1.
What is the InChIKey of [4-[(1S)-1-chloro-1-(4-methoxyphenyl)ethyl]phenoxy]phosphane?
The InChIKey is AMPFLSAGLLTYEA-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H16ClO2P/c1-15(16,11-3-7-13(17-2)8-4-11)12-5-9-14(18-19)10-6-12/h3-10H,19H2,1-2H3/t15-/m0/s1.
What are the key properties of [4-[(1S)-1-chloro-1-(4-methoxyphenyl)ethyl]phenoxy]phosphane?
[4-[(1S)-1-chloro-1-(4-methoxyphenyl)ethyl]phenoxy]phosphane has a molecular weight of 294.72 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1S)-1-chloro-1-(4-methoxyphenyl)ethyl]phenoxy]phosphane is sourced from PubChem (CID 71129441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).