2-(4-benzoyl-2-hydroxyphenoxy)ethyl carbonochloridate

C16H13ClO5 — CID 19812164

IUPAC2-(4-benzoyl-2-hydroxyphenoxy)ethyl carbonochloridate
SMILESO=C(Cl)OCCOc1ccc(C(=O)c2ccccc2)cc1O
InChIInChI=1S/C16H13ClO5/c17-16(20)22-9-8-21-14-7-6-12(10-13(14)18)15(19)11-4-2-1-3-5-11/h1-7,10,18H,8-9H2
InChIKeySBYDYBFMSOAQEY-UHFFFAOYSA-N
MW320.73 g/mol
LogP3.38
Rot. Bonds6

About 2-(4-benzoyl-2-hydroxyphenoxy)ethyl carbonochloridate

2-(4-benzoyl-2-hydroxyphenoxy)ethyl carbonochloridate (PubChem CID 19812164) has the molecular formula C16H13ClO5 and a molecular weight of 320.73 g/mol. Its IUPAC name is 2-(4-benzoyl-2-hydroxyphenoxy)ethyl carbonochloridate.

Molecular Properties

Compound Name2-(4-benzoyl-2-hydroxyphenoxy)ethyl carbonochloridate
PubChem CID19812164
Molecular FormulaC16H13ClO5
Molecular Weight320.73 g/mol
Exact Mass320.05
IUPAC Name2-(4-benzoyl-2-hydroxyphenoxy)ethyl carbonochloridate
SMILESO=C(Cl)OCCOc1ccc(C(=O)c2ccccc2)cc1O
InChIInChI=1S/C16H13ClO5/c17-16(20)22-9-8-21-14-7-6-12(10-13(14)18)15(19)11-4-2-1-3-5-11/h1-7,10,18H,8-9H2
InChIKeySBYDYBFMSOAQEY-UHFFFAOYSA-N
XLogP3.38
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.73
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-benzoylphenyl)methyl carbonochloridate
CID 10912734
2-(4-benzoylbenzoyl)oxyethyl 4-benzoylbenzoate
CID 20532950
(2-amino-4-benzoylphenyl) 3-amino-4-hydroxybenzoate
CID 57166754
methyl 3-hydroxy-4-(2-methoxyethoxy)benzoate
CID 141235728
S-(2-carbonochloridoyloxyethyl) benzenecarbothioate
CID 71349045
[4-(2-aminooxyethoxy)phenyl]-phenylmethanone
CID 122389379
tetrakis(carbonochloridic acid);diphenylmethanone
CID 173240243
4-benzoylbenzenecarbothioyl chloride
CID 163969608
3-(5-benzoyl-2-hydroxyphenyl)propanoic acid
CID 14089152
2-(4-benzoyl-2,3-dihydroxyphenoxy)ethyl prop-2-enoate
CID 141065793
(4-benzoyl-2-hydroxyphenyl) N-(3-triethoxysilylpropyl)carbamate
CID 102284862
2-(2-chlorophenoxy)ethyl 2-benzoylbenzoate
CID 7865480

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoyl-2-hydroxyphenoxy)ethyl carbonochloridate?
The IUPAC name of 2-(4-benzoyl-2-hydroxyphenoxy)ethyl carbonochloridate (CID 19812164) is 2-(4-benzoyl-2-hydroxyphenoxy)ethyl carbonochloridate.
What is the SMILES notation for 2-(4-benzoyl-2-hydroxyphenoxy)ethyl carbonochloridate?
The canonical SMILES for 2-(4-benzoyl-2-hydroxyphenoxy)ethyl carbonochloridate is O=C(Cl)OCCOc1ccc(C(=O)c2ccccc2)cc1O.
What is the InChIKey of 2-(4-benzoyl-2-hydroxyphenoxy)ethyl carbonochloridate?
The InChIKey is SBYDYBFMSOAQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClO5/c17-16(20)22-9-8-21-14-7-6-12(10-13(14)18)15(19)11-4-2-1-3-5-11/h1-7,10,18H,8-9H2.
What are the key properties of 2-(4-benzoyl-2-hydroxyphenoxy)ethyl carbonochloridate?
2-(4-benzoyl-2-hydroxyphenoxy)ethyl carbonochloridate has a molecular weight of 320.73 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoyl-2-hydroxyphenoxy)ethyl carbonochloridate is sourced from PubChem (CID 19812164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).