CID 88961149

C10H11BO3 — CID 88961149

IUPAC—
SMILES[B]C(C(=O)OC)c1ccc(OC)cc1
InChIInChI=1S/C10H11BO3/c1-13-8-5-3-7(4-6-8)9(11)10(12)14-2/h3-6,9H,1-2H3
InChIKeySIPLBMHWMSZUFO-UHFFFAOYSA-N
MW190.01 g/mol
LogP1.08
Rot. Bonds3

About CID 88961149

CID 88961149 (PubChem CID 88961149) has the molecular formula C10H11BO3 and a molecular weight of 190.01 g/mol.

Molecular Properties

Compound NameCID 88961149
PubChem CID88961149
Molecular FormulaC10H11BO3
Molecular Weight190.01 g/mol
Exact Mass190.08
IUPAC Name—
SMILES[B]C(C(=O)OC)c1ccc(OC)cc1
InChIInChI=1S/C10H11BO3/c1-13-8-5-3-7(4-6-8)9(11)10(12)14-2/h3-6,9H,1-2H3
InChIKeySIPLBMHWMSZUFO-UHFFFAOYSA-N
XLogP1.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.01
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-bromo-2-(4-methoxyphenyl)acetate
CID 10753737
dimethyl 2,5-bis(4-methoxyphenyl)-3,4-dioxohexanedioate
CID 11165893
methyl (2R,3S)-2,3-diamino-3-(4-methoxyphenyl)propanoate
CID 135055623
methyl (2S,3R)-2,3-dihydroxy-3-(4-methoxyphenyl)propanoate
CID 11042413
methyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetate
CID 132582668
methyl 2-fluoro-3-hydroxy-3-(4-methoxyphenyl)propanoate
CID 105485252
methyl 2-acetylsulfanyl-2-(4-methoxyphenyl)acetate
CID 10934044
methyl 2-[hydroxy-(4-methoxyphenyl)methyl]-3-methylbutanoate
CID 55071608
methyl 2-amino-2-(6-methoxynaphthalen-2-yl)acetate
CID 54022420
(2S)-2-amino-2-(4-methoxyphenyl)acetamide
CID 54341108
2-amino-2-(4-methoxyphenyl)acetamide
CID 14569003
methyl 3-[1-(4-methoxyphenyl)ethylamino]-2-methylpropanoate
CID 66244071

Frequently Asked Questions

What is the IUPAC name of CID 88961149?
The IUPAC name of CID 88961149 (CID 88961149) is not available.
What is the SMILES notation for CID 88961149?
The canonical SMILES for CID 88961149 is [B]C(C(=O)OC)c1ccc(OC)cc1.
What is the InChIKey of CID 88961149?
The InChIKey is SIPLBMHWMSZUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BO3/c1-13-8-5-3-7(4-6-8)9(11)10(12)14-2/h3-6,9H,1-2H3.
What are the key properties of CID 88961149?
CID 88961149 has a molecular weight of 190.01 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88961149 is sourced from PubChem (CID 88961149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).