7-methoxy-3-(4-methoxyphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazole

C19H17NO3 — CID 90677088

IUPAC7-methoxy-3-(4-methoxyphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazole
SMILESCOc1ccc(-c2noc3c2CCc2cc(OC)ccc2-3)cc1
InChIInChI=1S/C19H17NO3/c1-21-14-6-3-12(4-7-14)18-17-9-5-13-11-15(22-2)8-10-16(13)19(17)23-20-18/h3-4,6-8,10-11H,5,9H2,1-2H3
InChIKeyVSAKXIZVRAWEIR-UHFFFAOYSA-N
MW307.35 g/mol
LogP4.12
Rot. Bonds3

About 7-methoxy-3-(4-methoxyphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazole

7-methoxy-3-(4-methoxyphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazole (PubChem CID 90677088) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 7-methoxy-3-(4-methoxyphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazole.

Molecular Properties

Compound Name7-methoxy-3-(4-methoxyphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazole
PubChem CID90677088
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name7-methoxy-3-(4-methoxyphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazole
SMILESCOc1ccc(-c2noc3c2CCc2cc(OC)ccc2-3)cc1
InChIInChI=1S/C19H17NO3/c1-21-14-6-3-12(4-7-14)18-17-9-5-13-11-15(22-2)8-10-16(13)19(17)23-20-18/h3-4,6-8,10-11H,5,9H2,1-2H3
InChIKeyVSAKXIZVRAWEIR-UHFFFAOYSA-N
XLogP4.12
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-(4-methoxyphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazole?
The IUPAC name of 7-methoxy-3-(4-methoxyphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazole (CID 90677088) is 7-methoxy-3-(4-methoxyphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazole.
What is the SMILES notation for 7-methoxy-3-(4-methoxyphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazole?
The canonical SMILES for 7-methoxy-3-(4-methoxyphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazole is COc1ccc(-c2noc3c2CCc2cc(OC)ccc2-3)cc1.
What is the InChIKey of 7-methoxy-3-(4-methoxyphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazole?
The InChIKey is VSAKXIZVRAWEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-21-14-6-3-12(4-7-14)18-17-9-5-13-11-15(22-2)8-10-16(13)19(17)23-20-18/h3-4,6-8,10-11H,5,9H2,1-2H3.
What are the key properties of 7-methoxy-3-(4-methoxyphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazole?
7-methoxy-3-(4-methoxyphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazole has a molecular weight of 307.35 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-(4-methoxyphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazole is sourced from PubChem (CID 90677088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).