1-cyclohepta-1,3,5,6-tetraen-1-yl-4-methylnaphthalene

C18H14 — CID 143901201

IUPAC1-cyclohepta-1,3,5,6-tetraen-1-yl-4-methylnaphthalene
SMILESCc1ccc(C2=CC=CC=C=C2)c2ccccc12
InChIInChI=1S/C18H14/c1-14-12-13-17(15-8-4-2-3-5-9-15)18-11-7-6-10-16(14)18/h2-4,6-13H,1H3
InChIKeyVGGAEKAVVWYALV-UHFFFAOYSA-N
MW230.31 g/mol
LogP4.81
Rot. Bonds1

About 1-cyclohepta-1,3,5,6-tetraen-1-yl-4-methylnaphthalene

1-cyclohepta-1,3,5,6-tetraen-1-yl-4-methylnaphthalene (PubChem CID 143901201) has the molecular formula C18H14 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-cyclohepta-1,3,5,6-tetraen-1-yl-4-methylnaphthalene.

Molecular Properties

Compound Name1-cyclohepta-1,3,5,6-tetraen-1-yl-4-methylnaphthalene
PubChem CID143901201
Molecular FormulaC18H14
Molecular Weight230.31 g/mol
Exact Mass230.11
IUPAC Name1-cyclohepta-1,3,5,6-tetraen-1-yl-4-methylnaphthalene
SMILESCc1ccc(C2=CC=CC=C=C2)c2ccccc12
InChIInChI=1S/C18H14/c1-14-12-13-17(15-8-4-2-3-5-9-15)18-11-7-6-10-16(14)18/h2-4,6-13H,1H3
InChIKeyVGGAEKAVVWYALV-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-di(cyclooctatetraenyl)naphthalene
CID 90786287
CID 18534456
CID 18534456
CID 156771934
CID 156771934
2-(4-methylnaphthalen-1-yl)phenol
CID 53405208
1-methyl-4-[4-(4-methylphenyl)naphthalen-1-yl]naphthalene
CID 123804574
9,10-dimethylanthracene;1,4-dimethylnaphthalene;methane
CID 160811650
1,5-dimethylnaphthalene
CID 162159355
2,4-dichloro-6-(4-methylnaphthalen-1-yl)-1,3,5-triazine
CID 71361703
5-(4-methylnaphthalen-1-yl)-1H-pyridin-2-one
CID 53405290
1,4-bis(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)naphthalene
CID 144703387
6-cyclohepta-1,3,5,6-tetraen-1-yl-2-N,2-N-dimethyl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 176543243
CID 11133612
CID 11133612

Frequently Asked Questions

What is the IUPAC name of 1-cyclohepta-1,3,5,6-tetraen-1-yl-4-methylnaphthalene?
The IUPAC name of 1-cyclohepta-1,3,5,6-tetraen-1-yl-4-methylnaphthalene (CID 143901201) is 1-cyclohepta-1,3,5,6-tetraen-1-yl-4-methylnaphthalene.
What is the SMILES notation for 1-cyclohepta-1,3,5,6-tetraen-1-yl-4-methylnaphthalene?
The canonical SMILES for 1-cyclohepta-1,3,5,6-tetraen-1-yl-4-methylnaphthalene is Cc1ccc(C2=CC=CC=C=C2)c2ccccc12.
What is the InChIKey of 1-cyclohepta-1,3,5,6-tetraen-1-yl-4-methylnaphthalene?
The InChIKey is VGGAEKAVVWYALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14/c1-14-12-13-17(15-8-4-2-3-5-9-15)18-11-7-6-10-16(14)18/h2-4,6-13H,1H3.
What are the key properties of 1-cyclohepta-1,3,5,6-tetraen-1-yl-4-methylnaphthalene?
1-cyclohepta-1,3,5,6-tetraen-1-yl-4-methylnaphthalene has a molecular weight of 230.31 g/mol, XLogP of 4.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohepta-1,3,5,6-tetraen-1-yl-4-methylnaphthalene is sourced from PubChem (CID 143901201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).