2-methyl-2-[(E)-2-phenylethenyl]phenanthro[9,10-d][1,3]dioxole

C24H18O2 — CID 177393506

IUPAC2-methyl-2-[(E)-2-phenylethenyl]phenanthro[9,10-d][1,3]dioxole
SMILESCC1(/C=C/c2ccccc2)Oc2c(c3ccccc3c3ccccc23)O1
InChIInChI=1S/C24H18O2/c1-24(16-15-17-9-3-2-4-10-17)25-22-20-13-7-5-11-18(20)19-12-6-8-14-21(19)23(22)26-24/h2-16H,1H3/b16-15+
InChIKeyKGRZDYWYLYPLTQ-FOCLMDBBSA-N
MW338.41 g/mol
LogP6.19
Rot. Bonds2

About 2-methyl-2-[(E)-2-phenylethenyl]phenanthro[9,10-d][1,3]dioxole

2-methyl-2-[(E)-2-phenylethenyl]phenanthro[9,10-d][1,3]dioxole (PubChem CID 177393506) has the molecular formula C24H18O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-methyl-2-[(E)-2-phenylethenyl]phenanthro[9,10-d][1,3]dioxole.

Molecular Properties

Compound Name2-methyl-2-[(E)-2-phenylethenyl]phenanthro[9,10-d][1,3]dioxole
PubChem CID177393506
Molecular FormulaC24H18O2
Molecular Weight338.41 g/mol
Exact Mass338.13
IUPAC Name2-methyl-2-[(E)-2-phenylethenyl]phenanthro[9,10-d][1,3]dioxole
SMILESCC1(/C=C/c2ccccc2)Oc2c(c3ccccc3c3ccccc23)O1
InChIInChI=1S/C24H18O2/c1-24(16-15-17-9-3-2-4-10-17)25-22-20-13-7-5-11-18(20)19-12-6-8-14-21(19)23(22)26-24/h2-16H,1H3/b16-15+
InChIKeyKGRZDYWYLYPLTQ-FOCLMDBBSA-N
XLogP6.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-methyl-3-[(E)-2-phenylethenyl]benzo[g][2]benzofuran-1-one
CID 122377823
2-methyl-2-[(E)-2-phenylethenyl]-1,3-oxathiolane
CID 11469817
2-methyl-2-(2-phenylethenyl)-1,4-dioxane
CID 57070203
2,2,3,3,10-pentamethylphenanthro[9,10-b][1,4]dioxine
CID 54189481
4,4,5,5-tetramethyl-N-[(E)-2-phenylethenyl]-1,3-dioxolan-2-imine
CID 101363743
2-[(E)-2-phenylethenyl]azulene
CID 12674002
2-[amino(dimethyl)silyl]ethenylbenzene
CID 70151267
CID 70567885
CID 70567885
CID 70569152
CID 70569152
2,5,7,8-tetramethyl-2-[(E)-2-phenylethenyl]-3,4-dihydrochromen-6-ol
CID 11645227
N,N-dimethylmethanamine;stilbene
CID 174368184
1-[(E)-2-phenylethenyl]cyclopropan-1-ol
CID 15686065

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(E)-2-phenylethenyl]phenanthro[9,10-d][1,3]dioxole?
The IUPAC name of 2-methyl-2-[(E)-2-phenylethenyl]phenanthro[9,10-d][1,3]dioxole (CID 177393506) is 2-methyl-2-[(E)-2-phenylethenyl]phenanthro[9,10-d][1,3]dioxole.
What is the SMILES notation for 2-methyl-2-[(E)-2-phenylethenyl]phenanthro[9,10-d][1,3]dioxole?
The canonical SMILES for 2-methyl-2-[(E)-2-phenylethenyl]phenanthro[9,10-d][1,3]dioxole is CC1(/C=C/c2ccccc2)Oc2c(c3ccccc3c3ccccc23)O1.
What is the InChIKey of 2-methyl-2-[(E)-2-phenylethenyl]phenanthro[9,10-d][1,3]dioxole?
The InChIKey is KGRZDYWYLYPLTQ-FOCLMDBBSA-N. The full InChI is InChI=1S/C24H18O2/c1-24(16-15-17-9-3-2-4-10-17)25-22-20-13-7-5-11-18(20)19-12-6-8-14-21(19)23(22)26-24/h2-16H,1H3/b16-15+.
What are the key properties of 2-methyl-2-[(E)-2-phenylethenyl]phenanthro[9,10-d][1,3]dioxole?
2-methyl-2-[(E)-2-phenylethenyl]phenanthro[9,10-d][1,3]dioxole has a molecular weight of 338.41 g/mol, XLogP of 6.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(E)-2-phenylethenyl]phenanthro[9,10-d][1,3]dioxole is sourced from PubChem (CID 177393506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).