CID 57302108

C14H10BO4 — CID 57302108

IUPAC—
SMILESO=Cc1ccc(O[B]Oc2ccc(C=O)cc2)cc1
InChIInChI=1S/C14H10BO4/c16-9-11-1-5-13(6-2-11)18-15-19-14-7-3-12(10-17)4-8-14/h1-10H
InChIKeyCQJUTDKHTRYHHU-UHFFFAOYSA-N
MW253.04 g/mol
LogP2.30
Rot. Bonds6

About CID 57302108

CID 57302108 (PubChem CID 57302108) has the molecular formula C14H10BO4 and a molecular weight of 253.04 g/mol.

Molecular Properties

Compound NameCID 57302108
PubChem CID57302108
Molecular FormulaC14H10BO4
Molecular Weight253.04 g/mol
Exact Mass253.07
IUPAC Name—
SMILESO=Cc1ccc(O[B]Oc2ccc(C=O)cc2)cc1
InChIInChI=1S/C14H10BO4/c16-9-11-1-5-13(6-2-11)18-15-19-14-7-3-12(10-17)4-8-14/h1-10H
InChIKeyCQJUTDKHTRYHHU-UHFFFAOYSA-N
XLogP2.30
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.04
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
ethane;4-phosphanyloxybenzaldehyde
CID 91463332
benzene;terephthalaldehyde
CID 163498156
4-(difluoromethoxy)benzaldehyde
CID 2736986
4-[12-(4-formylphenoxy)dodecoxy]benzaldehyde
CID 19038503
4-cyclopropyloxybenzaldehyde
CID 71423039
4-[5-(4-formylphenoxy)pentoxy]benzaldehyde
CID 6421022
4-(4-fluorophenoxy)benzaldehyde
CID 3856802
4-[2,3,5,6-tetrafluoro-4-(4-formylphenoxy)phenoxy]benzaldehyde
CID 1380013
4-(1,2,2-trifluoroethenoxy)benzaldehyde
CID 22227324
4-cyclopentyloxybenzaldehyde
CID 3152724
4-(2-fluoroethoxy)benzaldehyde
CID 15058649

Frequently Asked Questions

What is the IUPAC name of CID 57302108?
The IUPAC name of CID 57302108 (CID 57302108) is not available.
What is the SMILES notation for CID 57302108?
The canonical SMILES for CID 57302108 is O=Cc1ccc(O[B]Oc2ccc(C=O)cc2)cc1.
What is the InChIKey of CID 57302108?
The InChIKey is CQJUTDKHTRYHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BO4/c16-9-11-1-5-13(6-2-11)18-15-19-14-7-3-12(10-17)4-8-14/h1-10H.
What are the key properties of CID 57302108?
CID 57302108 has a molecular weight of 253.04 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57302108 is sourced from PubChem (CID 57302108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).