2-(3-methylphenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine

C19H17NO — CID 4109852

IUPAC2-(3-methylphenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine
SMILESCc1cccc(N2COc3ccc4ccccc4c3C2)c1
InChIInChI=1S/C19H17NO/c1-14-5-4-7-16(11-14)20-12-18-17-8-3-2-6-15(17)9-10-19(18)21-13-20/h2-11H,12-13H2,1H3
InChIKeyZROYJIFSDLWVLQ-UHFFFAOYSA-N
MW275.35 g/mol
LogP4.50
Rot. Bonds1

About 2-(3-methylphenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine

2-(3-methylphenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine (PubChem CID 4109852) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine.

Molecular Properties

Compound Name2-(3-methylphenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine
PubChem CID4109852
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name2-(3-methylphenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine
SMILESCc1cccc(N2COc3ccc4ccccc4c3C2)c1
InChIInChI=1S/C19H17NO/c1-14-5-4-7-16(11-14)20-12-18-17-8-3-2-6-15(17)9-10-19(18)21-13-20/h2-11H,12-13H2,1H3
InChIKeyZROYJIFSDLWVLQ-UHFFFAOYSA-N
XLogP4.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[3-(5-Methoxy-3,4-dihydro-naphthalen-1-yl)-propyl]-4-(3-trifluoromethyl-phenyl)-piperazine
CID 10025712
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1-[3-[4-[3-(Trifluoromethyl)phenyl]piperazino]propyl]-7-methoxy-1,2,3,4-tetrahydronaphthalene
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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine?
The IUPAC name of 2-(3-methylphenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine (CID 4109852) is 2-(3-methylphenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine.
What is the SMILES notation for 2-(3-methylphenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine?
The canonical SMILES for 2-(3-methylphenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine is Cc1cccc(N2COc3ccc4ccccc4c3C2)c1.
What is the InChIKey of 2-(3-methylphenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine?
The InChIKey is ZROYJIFSDLWVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO/c1-14-5-4-7-16(11-14)20-12-18-17-8-3-2-6-15(17)9-10-19(18)21-13-20/h2-11H,12-13H2,1H3.
What are the key properties of 2-(3-methylphenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine?
2-(3-methylphenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine has a molecular weight of 275.35 g/mol, XLogP of 4.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine is sourced from PubChem (CID 4109852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).