2-phenylmethoxyethyl carbonochloridate

C10H11ClO3 — CID 4563900

IUPAC2-phenylmethoxyethyl carbonochloridate
SMILESO=C(Cl)OCCOCc1ccccc1
InChIInChI=1S/C10H11ClO3/c11-10(12)14-7-6-13-8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyQXVIJZMVCKUMER-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.58
Rot. Bonds5

About 2-phenylmethoxyethyl carbonochloridate

2-phenylmethoxyethyl carbonochloridate (PubChem CID 4563900) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is 2-phenylmethoxyethyl carbonochloridate.

Molecular Properties

Compound Name2-phenylmethoxyethyl carbonochloridate
PubChem CID4563900
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name2-phenylmethoxyethyl carbonochloridate
SMILESO=C(Cl)OCCOCc1ccccc1
InChIInChI=1S/C10H11ClO3/c11-10(12)14-7-6-13-8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyQXVIJZMVCKUMER-UHFFFAOYSA-N
XLogP2.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxyethyl carbonochloridate?
The IUPAC name of 2-phenylmethoxyethyl carbonochloridate (CID 4563900) is 2-phenylmethoxyethyl carbonochloridate.
What is the SMILES notation for 2-phenylmethoxyethyl carbonochloridate?
The canonical SMILES for 2-phenylmethoxyethyl carbonochloridate is O=C(Cl)OCCOCc1ccccc1.
What is the InChIKey of 2-phenylmethoxyethyl carbonochloridate?
The InChIKey is QXVIJZMVCKUMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c11-10(12)14-7-6-13-8-9-4-2-1-3-5-9/h1-5H,6-8H2.
What are the key properties of 2-phenylmethoxyethyl carbonochloridate?
2-phenylmethoxyethyl carbonochloridate has a molecular weight of 214.65 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxyethyl carbonochloridate is sourced from PubChem (CID 4563900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).