6-(4-methylphenyl)tricyclo[6.4.0.02,4]dodeca-1(12),2,5,8,10-pentaen-7-one

C19H14O — CID 143220003

IUPAC6-(4-methylphenyl)tricyclo[6.4.0.02,4]dodeca-1(12),2,5,8,10-pentaen-7-one
SMILESCc1ccc(C2=CC3C=C3c3ccccc3C2=O)cc1
InChIInChI=1S/C19H14O/c1-12-6-8-13(9-7-12)18-11-14-10-17(14)15-4-2-3-5-16(15)19(18)20/h2-11,14H,1H3
InChIKeyBEDNASNHCNSDOW-UHFFFAOYSA-N
MW258.32 g/mol
LogP4.29
Rot. Bonds1

About 6-(4-methylphenyl)tricyclo[6.4.0.02,4]dodeca-1(12),2,5,8,10-pentaen-7-one

6-(4-methylphenyl)tricyclo[6.4.0.02,4]dodeca-1(12),2,5,8,10-pentaen-7-one (PubChem CID 143220003) has the molecular formula C19H14O and a molecular weight of 258.32 g/mol. Its IUPAC name is 6-(4-methylphenyl)tricyclo[6.4.0.02,4]dodeca-1(12),2,5,8,10-pentaen-7-one.

Molecular Properties

Compound Name6-(4-methylphenyl)tricyclo[6.4.0.02,4]dodeca-1(12),2,5,8,10-pentaen-7-one
PubChem CID143220003
Molecular FormulaC19H14O
Molecular Weight258.32 g/mol
Exact Mass258.10
IUPAC Name6-(4-methylphenyl)tricyclo[6.4.0.02,4]dodeca-1(12),2,5,8,10-pentaen-7-one
SMILESCc1ccc(C2=CC3C=C3c3ccccc3C2=O)cc1
InChIInChI=1S/C19H14O/c1-12-6-8-13(9-7-12)18-11-14-10-17(14)15-4-2-3-5-16(15)19(18)20/h2-11,14H,1H3
InChIKeyBEDNASNHCNSDOW-UHFFFAOYSA-N
XLogP4.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-(4-methylphenyl)tricyclo[6.4.0.02,4]dodeca-1(12),2,5,8,10-pentaen-7-one with MolForge

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Related Compounds

2-(4-methylphenyl)-3-[3-(4-methylphenyl)-1,4-dioxonaphthalen-2-yl]naphthalene-1,4-dione
CID 141466102
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CID 67824005
3-(4-methylphenyl)indeno[1,2-c]pyridazin-5-one
CID 2767330
2,3-bis(4-methylphenoxy)naphthalene-1,4-dione
CID 14091253
9-(4-methylphenyl)-1,10a-dihydrophenanthrene
CID 143963647
fluoren-9-one;4-methylbenzaldehyde
CID 19356892
2-phenylinden-1-one
CID 10878305
2-(4-methylphenyl)-N,N-di(propan-2-yl)benzamide
CID 11822559
3-(4-chlorophenyl)-2-(4-methylphenyl)benzo[g]quinoxaline-5,10-dione
CID 138484311
CID 158261979
CID 158261979
anthracene-9,10-dione;tris(4-methylphenyl) phosphate
CID 175314566
2-hydroxy-3-(4-methylphenyl)cyclohepta-2,4,6-trien-1-one
CID 146178966

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)tricyclo[6.4.0.02,4]dodeca-1(12),2,5,8,10-pentaen-7-one?
The IUPAC name of 6-(4-methylphenyl)tricyclo[6.4.0.02,4]dodeca-1(12),2,5,8,10-pentaen-7-one (CID 143220003) is 6-(4-methylphenyl)tricyclo[6.4.0.02,4]dodeca-1(12),2,5,8,10-pentaen-7-one.
What is the SMILES notation for 6-(4-methylphenyl)tricyclo[6.4.0.02,4]dodeca-1(12),2,5,8,10-pentaen-7-one?
The canonical SMILES for 6-(4-methylphenyl)tricyclo[6.4.0.02,4]dodeca-1(12),2,5,8,10-pentaen-7-one is Cc1ccc(C2=CC3C=C3c3ccccc3C2=O)cc1.
What is the InChIKey of 6-(4-methylphenyl)tricyclo[6.4.0.02,4]dodeca-1(12),2,5,8,10-pentaen-7-one?
The InChIKey is BEDNASNHCNSDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O/c1-12-6-8-13(9-7-12)18-11-14-10-17(14)15-4-2-3-5-16(15)19(18)20/h2-11,14H,1H3.
What are the key properties of 6-(4-methylphenyl)tricyclo[6.4.0.02,4]dodeca-1(12),2,5,8,10-pentaen-7-one?
6-(4-methylphenyl)tricyclo[6.4.0.02,4]dodeca-1(12),2,5,8,10-pentaen-7-one has a molecular weight of 258.32 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)tricyclo[6.4.0.02,4]dodeca-1(12),2,5,8,10-pentaen-7-one is sourced from PubChem (CID 143220003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).