CID 57142158

C16H15BO2 — CID 57142158

IUPAC—
SMILES[B]C(Cc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C16H15BO2/c17-15(11-13-7-3-1-4-8-13)16(18)19-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2
InChIKeyIMMHRSNIKHYDGW-UHFFFAOYSA-N
MW250.11 g/mol
LogP2.93
Rot. Bonds5

About CID 57142158

CID 57142158 (PubChem CID 57142158) has the molecular formula C16H15BO2 and a molecular weight of 250.11 g/mol.

Molecular Properties

Compound NameCID 57142158
PubChem CID57142158
Molecular FormulaC16H15BO2
Molecular Weight250.11 g/mol
Exact Mass250.12
IUPAC Name—
SMILES[B]C(Cc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C16H15BO2/c17-15(11-13-7-3-1-4-8-13)16(18)19-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2
InChIKeyIMMHRSNIKHYDGW-UHFFFAOYSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.11
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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tetrabenzyl propane-1,1,3,3-tetracarboxylate
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benzyl 2-amino-2-hydroxyacetate
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benzyl (2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoate
CID 86346378
3-O-benzyl 1-O-methyl (2R)-2-benzylpropanedioate
CID 129391005
benzyl (2S)-4-amino-2-benzyl-3,4-dihydroxybutanoate
CID 150377041
benzyl (2S)-2-aminopropanoate
CID 726858
benzyl (2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoate;hydrochloride
CID 70603822
[3-(4-hydroxyphenyl)-1-oxo-1-phenylmethoxypropan-2-yl]azanium
CID 4052014
benzyl 4-amino-3-benzyl-2-methyl-4-oxobutanoate
CID 90829390
benzyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 4283517
benzyl (2R)-2-(dibenzylamino)-3-phenylpropanoate
CID 36689310

Frequently Asked Questions

What is the IUPAC name of CID 57142158?
The IUPAC name of CID 57142158 (CID 57142158) is not available.
What is the SMILES notation for CID 57142158?
The canonical SMILES for CID 57142158 is [B]C(Cc1ccccc1)C(=O)OCc1ccccc1.
What is the InChIKey of CID 57142158?
The InChIKey is IMMHRSNIKHYDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BO2/c17-15(11-13-7-3-1-4-8-13)16(18)19-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2.
What are the key properties of CID 57142158?
CID 57142158 has a molecular weight of 250.11 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57142158 is sourced from PubChem (CID 57142158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).