CID 154662033

C11H11BO3 — CID 154662033

IUPAC—
SMILES[B]c1cccc(C(O)C(=C)C(=O)OC)c1
InChIInChI=1S/C11H11BO3/c1-7(11(14)15-2)10(13)8-4-3-5-9(12)6-8/h3-6,10,13H,1H2,2H3
InChIKeyBLWRHHCWMXEKTO-UHFFFAOYSA-N
MW202.02 g/mol
LogP0.24
Rot. Bonds3

About CID 154662033

CID 154662033 (PubChem CID 154662033) has the molecular formula C11H11BO3 and a molecular weight of 202.02 g/mol.

Molecular Properties

Compound NameCID 154662033
PubChem CID154662033
Molecular FormulaC11H11BO3
Molecular Weight202.02 g/mol
Exact Mass202.08
IUPAC Name—
SMILES[B]c1cccc(C(O)C(=C)C(=O)OC)c1
InChIInChI=1S/C11H11BO3/c1-7(11(14)15-2)10(13)8-4-3-5-9(12)6-8/h3-6,10,13H,1H2,2H3
InChIKeyBLWRHHCWMXEKTO-UHFFFAOYSA-N
XLogP0.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.02
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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methyl 2-benzhydrylprop-2-enoate
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methyl 2-[(S)-hydroxy(pyridin-4-yl)methyl]prop-2-enoate
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tert-butyl 2-[hydroxy-(3-methylphenyl)methyl]prop-2-enoate
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methyl 2-[(S)-furan-2-yl(hydroxy)methyl]prop-2-enoate
CID 28595486
methyl 2-[bromo(phenyl)methyl]prop-2-enoate
CID 15812396
methyl 2-[(S)-(3-chlorophenyl)-fluoromethyl]prop-2-enoate
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methyl 2-[(3-bromonaphthalen-2-yl)-hydroxymethyl]prop-2-enoate
CID 102442417
4-bromobenzaldehyde;methyl 2-[(4-bromophenyl)-hydroxymethyl]prop-2-enoate
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methyl 4-hydroxy-2-methylidene-3-phenylbutanoate
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Frequently Asked Questions

What is the IUPAC name of CID 154662033?
The IUPAC name of CID 154662033 (CID 154662033) is not available.
What is the SMILES notation for CID 154662033?
The canonical SMILES for CID 154662033 is [B]c1cccc(C(O)C(=C)C(=O)OC)c1.
What is the InChIKey of CID 154662033?
The InChIKey is BLWRHHCWMXEKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BO3/c1-7(11(14)15-2)10(13)8-4-3-5-9(12)6-8/h3-6,10,13H,1H2,2H3.
What are the key properties of CID 154662033?
CID 154662033 has a molecular weight of 202.02 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154662033 is sourced from PubChem (CID 154662033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).