boric acid;9-ethoxyanthracene

C16H17BO4 — CID 175362289

IUPACboric acid;9-ethoxyanthracene
SMILESCCOc1c2ccccc2cc2ccccc12.OB(O)O
InChIInChI=1S/C16H14O.BH3O3/c1-2-17-16-14-9-5-3-7-12(14)11-13-8-4-6-10-15(13)16;2-1(3)4/h3-11H,2H2,1H3;2-4H
InChIKeyFXMDGGTUSOQKDM-UHFFFAOYSA-N
MW284.12 g/mol
LogP2.34
Rot. Bonds2

About boric acid;9-ethoxyanthracene

boric acid;9-ethoxyanthracene (PubChem CID 175362289) has the molecular formula C16H17BO4 and a molecular weight of 284.12 g/mol. Its IUPAC name is boric acid;9-ethoxyanthracene.

Molecular Properties

Compound Nameboric acid;9-ethoxyanthracene
PubChem CID175362289
Molecular FormulaC16H17BO4
Molecular Weight284.12 g/mol
Exact Mass284.12
IUPAC Nameboric acid;9-ethoxyanthracene
SMILESCCOc1c2ccccc2cc2ccccc12.OB(O)O
InChIInChI=1S/C16H14O.BH3O3/c1-2-17-16-14-9-5-3-7-12(14)11-13-8-4-6-10-15(13)16;2-1(3)4/h3-11H,2H2,1H3;2-4H
InChIKeyFXMDGGTUSOQKDM-UHFFFAOYSA-N
XLogP2.34
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.12
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

anthracen-9-yloxymethanol
CID 177108126
9,10-diethoxyanthracen-2-ol
CID 139656119
7-ethoxy-4-[4-(7-ethoxybenzo[a]anthracen-4-yl)phenyl]benzo[a]anthracene
CID 118465260
1-ethoxy-2-methoxynaphthalene
CID 45093938
1,2-diethoxytetracene
CID 141276964
phenanthren-9-ylboronic acid
CID 158011086
4-ethoxynaphthalen-2-amine
CID 57115135
ethoxyethane;phenanthrene
CID 174652079
3-anthracen-9-yloxypropane-1,2-diol
CID 139994732
pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 160736098
(1-ethoxynaphthalen-2-yl)methylphosphonic acid
CID 152656147
diethoxy(methyl)silane;9-methoxyanthracene
CID 173160336

Frequently Asked Questions

What is the IUPAC name of boric acid;9-ethoxyanthracene?
The IUPAC name of boric acid;9-ethoxyanthracene (CID 175362289) is boric acid;9-ethoxyanthracene.
What is the SMILES notation for boric acid;9-ethoxyanthracene?
The canonical SMILES for boric acid;9-ethoxyanthracene is CCOc1c2ccccc2cc2ccccc12.OB(O)O.
What is the InChIKey of boric acid;9-ethoxyanthracene?
The InChIKey is FXMDGGTUSOQKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O.BH3O3/c1-2-17-16-14-9-5-3-7-12(14)11-13-8-4-6-10-15(13)16;2-1(3)4/h3-11H,2H2,1H3;2-4H.
What are the key properties of boric acid;9-ethoxyanthracene?
boric acid;9-ethoxyanthracene has a molecular weight of 284.12 g/mol, XLogP of 2.34, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;9-ethoxyanthracene is sourced from PubChem (CID 175362289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).