CID 170654330

C18H10BO4 — CID 170654330

IUPAC—
SMILESO[B]Oc1ccc2c(c1)oc1ccc3c4ccccc4oc3c12
InChIInChI=1S/C18H10BO4/c20-19-23-10-5-6-13-16(9-10)21-15-8-7-12-11-3-1-2-4-14(11)22-18(12)17(13)15/h1-9,20H
InChIKeyILXGWSXANCGIEJ-UHFFFAOYSA-N
MW301.09 g/mol
LogP4.39
Rot. Bonds2

About CID 170654330

CID 170654330 (PubChem CID 170654330) has the molecular formula C18H10BO4 and a molecular weight of 301.09 g/mol.

Molecular Properties

Compound NameCID 170654330
PubChem CID170654330
Molecular FormulaC18H10BO4
Molecular Weight301.09 g/mol
Exact Mass301.07
IUPAC Name—
SMILESO[B]Oc1ccc2c(c1)oc1ccc3c4ccccc4oc3c12
InChIInChI=1S/C18H10BO4/c20-19-23-10-5-6-13-16(9-10)21-15-8-7-12-11-3-1-2-4-14(11)22-18(12)17(13)15/h1-9,20H
InChIKeyILXGWSXANCGIEJ-UHFFFAOYSA-N
XLogP4.39
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.09
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 170675719
CID 170675719
N-dibenzofuran-3-yl-N-naphthalen-2-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-amine
CID 146647960
CID 67500547
CID 67500547
CID 167347604
CID 167347604
5-chloro-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
CID 135171594
CID 157315536
CID 157315536
CID 162013945
CID 162013945
CID 167419830
CID 167419830
CID 90167817
CID 90167817
CID 140709002
CID 140709002
5-[8-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-7-yl)dibenzofuran-2-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 142487760
18-(10-dibenzofuran-2-ylanthracen-9-yl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 90433540

Frequently Asked Questions

What is the IUPAC name of CID 170654330?
The IUPAC name of CID 170654330 (CID 170654330) is not available.
What is the SMILES notation for CID 170654330?
The canonical SMILES for CID 170654330 is O[B]Oc1ccc2c(c1)oc1ccc3c4ccccc4oc3c12.
What is the InChIKey of CID 170654330?
The InChIKey is ILXGWSXANCGIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10BO4/c20-19-23-10-5-6-13-16(9-10)21-15-8-7-12-11-3-1-2-4-14(11)22-18(12)17(13)15/h1-9,20H.
What are the key properties of CID 170654330?
CID 170654330 has a molecular weight of 301.09 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170654330 is sourced from PubChem (CID 170654330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).