10-(4-methylcyclohexa-1,3-dien-1-yl)phenoxazine

C19H17NO — CID 142093024

IUPAC10-(4-methylcyclohexa-1,3-dien-1-yl)phenoxazine
SMILESCC1=CC=C(N2c3ccccc3Oc3ccccc32)CC1
InChIInChI=1S/C19H17NO/c1-14-10-12-15(13-11-14)20-16-6-2-4-8-18(16)21-19-9-5-3-7-17(19)20/h2-10,12H,11,13H2,1H3
InChIKeyMJVHSTDCVLDCTR-UHFFFAOYSA-N
MW275.35 g/mol
LogP5.55
Rot. Bonds1

About 10-(4-methylcyclohexa-1,3-dien-1-yl)phenoxazine

10-(4-methylcyclohexa-1,3-dien-1-yl)phenoxazine (PubChem CID 142093024) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is 10-(4-methylcyclohexa-1,3-dien-1-yl)phenoxazine.

Molecular Properties

Compound Name10-(4-methylcyclohexa-1,3-dien-1-yl)phenoxazine
PubChem CID142093024
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name10-(4-methylcyclohexa-1,3-dien-1-yl)phenoxazine
SMILESCC1=CC=C(N2c3ccccc3Oc3ccccc32)CC1
InChIInChI=1S/C19H17NO/c1-14-10-12-15(13-11-14)20-16-6-2-4-8-18(16)21-19-9-5-3-7-17(19)20/h2-10,12H,11,13H2,1H3
InChIKeyMJVHSTDCVLDCTR-UHFFFAOYSA-N
XLogP5.55
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.35
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-(4-methylcyclohexa-1,3-dien-1-yl)phenoxazine?
The IUPAC name of 10-(4-methylcyclohexa-1,3-dien-1-yl)phenoxazine (CID 142093024) is 10-(4-methylcyclohexa-1,3-dien-1-yl)phenoxazine.
What is the SMILES notation for 10-(4-methylcyclohexa-1,3-dien-1-yl)phenoxazine?
The canonical SMILES for 10-(4-methylcyclohexa-1,3-dien-1-yl)phenoxazine is CC1=CC=C(N2c3ccccc3Oc3ccccc32)CC1.
What is the InChIKey of 10-(4-methylcyclohexa-1,3-dien-1-yl)phenoxazine?
The InChIKey is MJVHSTDCVLDCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO/c1-14-10-12-15(13-11-14)20-16-6-2-4-8-18(16)21-19-9-5-3-7-17(19)20/h2-10,12H,11,13H2,1H3.
What are the key properties of 10-(4-methylcyclohexa-1,3-dien-1-yl)phenoxazine?
10-(4-methylcyclohexa-1,3-dien-1-yl)phenoxazine has a molecular weight of 275.35 g/mol, XLogP of 5.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-methylcyclohexa-1,3-dien-1-yl)phenoxazine is sourced from PubChem (CID 142093024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).