CID 163431585

C19H20B2O2 — CID 163431585

IUPAC—
SMILES[B]c1ccc2c(c1)Cc1cc(B3OC(C)(C)C(C)(C)O3)ccc1-2
InChIInChI=1S/C19H20B2O2/c1-18(2)19(3,4)23-21(22-18)15-6-8-17-13(11-15)9-12-10-14(20)5-7-16(12)17/h5-8,10-11H,9H2,1-4H3
InChIKeyFALHNLLKXASYME-UHFFFAOYSA-N
MW301.99 g/mol
LogP2.35
Rot. Bonds1

About CID 163431585

CID 163431585 (PubChem CID 163431585) has the molecular formula C19H20B2O2 and a molecular weight of 301.99 g/mol.

Molecular Properties

Compound NameCID 163431585
PubChem CID163431585
Molecular FormulaC19H20B2O2
Molecular Weight301.99 g/mol
Exact Mass302.16
IUPAC Name—
SMILES[B]c1ccc2c(c1)Cc1cc(B3OC(C)(C)C(C)(C)O3)ccc1-2
InChIInChI=1S/C19H20B2O2/c1-18(2)19(3,4)23-21(22-18)15-6-8-17-13(11-15)9-12-10-14(20)5-7-16(12)17/h5-8,10-11H,9H2,1-4H3
InChIKeyFALHNLLKXASYME-UHFFFAOYSA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.99
LogP ≤ 52.35
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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2-(7-dodecyl-9H-fluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
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CID 142315314
CID 142315314
4,4,5,5-tetramethyl-2-[7'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]-1,3,2-dioxaborolane
CID 58793126
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 171934806
1-[5-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-fluoren-2-yl]-2-(2-trimethylsilylethoxymethyl)triazol-4-yl]ethanone
CID 160812488
4,4,5,5-tetramethyl-2-(4-pentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8,10,12-hexaenyl)-1,3,2-dioxaborolane
CID 140808883
4,4,5,5-tetramethyl-2-[9-tetradecyl-13-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaenyl]-1,3,2-dioxaborolane
CID 140887341
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-naphthalen-2-one
CID 58354222
CID 123510218
CID 123510218
2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinolin-1-one
CID 176912771
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-quinazolin-2-one
CID 66683727

Frequently Asked Questions

What is the IUPAC name of CID 163431585?
The IUPAC name of CID 163431585 (CID 163431585) is not available.
What is the SMILES notation for CID 163431585?
The canonical SMILES for CID 163431585 is [B]c1ccc2c(c1)Cc1cc(B3OC(C)(C)C(C)(C)O3)ccc1-2.
What is the InChIKey of CID 163431585?
The InChIKey is FALHNLLKXASYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20B2O2/c1-18(2)19(3,4)23-21(22-18)15-6-8-17-13(11-15)9-12-10-14(20)5-7-16(12)17/h5-8,10-11H,9H2,1-4H3.
What are the key properties of CID 163431585?
CID 163431585 has a molecular weight of 301.99 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163431585 is sourced from PubChem (CID 163431585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).