CID 71043704

C18H18BO3 — CID 71043704

IUPAC—
SMILESC[B]Cc1cc(OC)cc2cc(-c3ccc(OC)cc3)oc12
InChIInChI=1S/C18H18BO3/c1-19-11-14-9-16(21-3)8-13-10-17(22-18(13)14)12-4-6-15(20-2)7-5-12/h4-10H,11H2,1-3H3
InChIKeyWEEJGTQVMZNURS-UHFFFAOYSA-N
MW293.15 g/mol
LogP4.37
Rot. Bonds5

About CID 71043704

CID 71043704 (PubChem CID 71043704) has the molecular formula C18H18BO3 and a molecular weight of 293.15 g/mol.

Molecular Properties

Compound NameCID 71043704
PubChem CID71043704
Molecular FormulaC18H18BO3
Molecular Weight293.15 g/mol
Exact Mass293.13
IUPAC Name—
SMILESC[B]Cc1cc(OC)cc2cc(-c3ccc(OC)cc3)oc12
InChIInChI=1S/C18H18BO3/c1-19-11-14-9-16(21-3)8-13-10-17(22-18(13)14)12-4-6-15(20-2)7-5-12/h4-10H,11H2,1-3H3
InChIKeyWEEJGTQVMZNURS-UHFFFAOYSA-N
XLogP4.37
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-2-(4-methoxyphenyl)-7-propyl-1-benzofuran
CID 10214897
ethane;methane;5-methoxy-2-(4-methoxyphenyl)-7-propyl-1-benzofuran
CID 142256355
1-[5-methoxy-2-(4-methoxyphenyl)-1-benzofuran-7-yl]ethanone
CID 22221637
4,9,14-tris(4-methoxyphenyl)-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene
CID 102345821
5,7-dibromo-2-(4-methoxyphenyl)-1-benzofuran
CID 10309404
2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-1-benzofuran
CID 10358261
4-methoxy-6-(4-methoxyphenyl)pyran-2-one
CID 13237931
2-(4-methoxyphenyl)-1-benzofuran
CID 10727834
3-chloro-5-(4-methoxyphenyl)-2-methylfuran
CID 14592116
2-[4-(4-methoxyphenyl)phenyl]-1-benzofuran
CID 141017099
[4-[7-bromo-5-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-2-yl]phenoxy]-tert-butyl-dimethylsilane
CID 22221616
6,7,8-trihydroxy-2-(4-methoxyphenyl)chromen-4-one
CID 16657777

Frequently Asked Questions

What is the IUPAC name of CID 71043704?
The IUPAC name of CID 71043704 (CID 71043704) is not available.
What is the SMILES notation for CID 71043704?
The canonical SMILES for CID 71043704 is C[B]Cc1cc(OC)cc2cc(-c3ccc(OC)cc3)oc12.
What is the InChIKey of CID 71043704?
The InChIKey is WEEJGTQVMZNURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BO3/c1-19-11-14-9-16(21-3)8-13-10-17(22-18(13)14)12-4-6-15(20-2)7-5-12/h4-10H,11H2,1-3H3.
What are the key properties of CID 71043704?
CID 71043704 has a molecular weight of 293.15 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71043704 is sourced from PubChem (CID 71043704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).