1-(5-chlorocyclohepta-1,4,6-trien-1-yl)oxy-5-methylcyclohepta-1,2,4,6-tetraene

C15H13ClO — CID 145350502

IUPAC1-(5-chlorocyclohepta-1,4,6-trien-1-yl)oxy-5-methylcyclohepta-1,2,4,6-tetraene
SMILESCC1=CC=C=C(OC2=CCC=C(Cl)C=C2)C=C1
InChIInChI=1S/C15H13ClO/c1-12-4-2-6-14(10-8-12)17-15-7-3-5-13(16)9-11-15/h2,4-5,7-11H,3H2,1H3
InChIKeyFUSMDNSFSVYQRR-UHFFFAOYSA-N
MW244.72 g/mol
LogP4.52
Rot. Bonds2

About 1-(5-chlorocyclohepta-1,4,6-trien-1-yl)oxy-5-methylcyclohepta-1,2,4,6-tetraene

1-(5-chlorocyclohepta-1,4,6-trien-1-yl)oxy-5-methylcyclohepta-1,2,4,6-tetraene (PubChem CID 145350502) has the molecular formula C15H13ClO and a molecular weight of 244.72 g/mol. Its IUPAC name is 1-(5-chlorocyclohepta-1,4,6-trien-1-yl)oxy-5-methylcyclohepta-1,2,4,6-tetraene.

Molecular Properties

Compound Name1-(5-chlorocyclohepta-1,4,6-trien-1-yl)oxy-5-methylcyclohepta-1,2,4,6-tetraene
PubChem CID145350502
Molecular FormulaC15H13ClO
Molecular Weight244.72 g/mol
Exact Mass244.07
IUPAC Name1-(5-chlorocyclohepta-1,4,6-trien-1-yl)oxy-5-methylcyclohepta-1,2,4,6-tetraene
SMILESCC1=CC=C=C(OC2=CCC=C(Cl)C=C2)C=C1
InChIInChI=1S/C15H13ClO/c1-12-4-2-6-14(10-8-12)17-15-7-3-5-13(16)9-11-15/h2,4-5,7-11H,3H2,1H3
InChIKeyFUSMDNSFSVYQRR-UHFFFAOYSA-N
XLogP4.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(5-chlorocyclohepta-1,4,6-trien-1-yl)oxy-5-methylcyclohepta-1,2,4,6-tetraene with MolForge

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Related Compounds

2-methyl-5-propan-2-yloxycyclohepta-1,3,5-triene
CID 143886571
1,5-dimethylcyclohepta-1,2,4,6-tetraene;toluene
CID 143593544
5-methyl-1-[2-(4-methylphenyl)propan-2-yl]cyclohepta-1,2,4,6-tetraene
CID 142899269
1-chloro-6-methylcyclohepta-1,2,4,6-tetraene;ethane
CID 143413766
11-methyl-9-oxatricyclo[8.5.0.02,8]pentadeca-1(10),2,3,5,7,11,14-heptaene
CID 143232247
(E)-7-methyl-3-(7-methylcyclohepta-1,3,5,6-tetraen-1-yl)-8-[4-(5-methylcyclohepta-1,4,6-trien-1-yl)oxypiperidin-1-yl]oct-3-en-2-one
CID 143502598
2,6-dimethyl-4H-thiopyran
CID 54402561
11-methyl-9-oxatricyclo[8.5.0.02,8]pentadeca-1(10),2,3,5,7,11,14-heptaene;propane
CID 143232246
2-cyclohepta-1,4,6-trien-1-yloxy-3-methylpyridine
CID 143217388
2,5-dimethylcyclohepta-1,3,5-triene;ethane;4-methylpiperidine
CID 142973103
benzene;5-chlorocyclohepta-1,4,6-triene-1-carbaldehyde;propan-2-yl 2-hydroxy-2-methylpropanoate
CID 142141261
2-methoxy-5-propylcyclohepta-1,3,5-triene
CID 143063211

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorocyclohepta-1,4,6-trien-1-yl)oxy-5-methylcyclohepta-1,2,4,6-tetraene?
The IUPAC name of 1-(5-chlorocyclohepta-1,4,6-trien-1-yl)oxy-5-methylcyclohepta-1,2,4,6-tetraene (CID 145350502) is 1-(5-chlorocyclohepta-1,4,6-trien-1-yl)oxy-5-methylcyclohepta-1,2,4,6-tetraene.
What is the SMILES notation for 1-(5-chlorocyclohepta-1,4,6-trien-1-yl)oxy-5-methylcyclohepta-1,2,4,6-tetraene?
The canonical SMILES for 1-(5-chlorocyclohepta-1,4,6-trien-1-yl)oxy-5-methylcyclohepta-1,2,4,6-tetraene is CC1=CC=C=C(OC2=CCC=C(Cl)C=C2)C=C1.
What is the InChIKey of 1-(5-chlorocyclohepta-1,4,6-trien-1-yl)oxy-5-methylcyclohepta-1,2,4,6-tetraene?
The InChIKey is FUSMDNSFSVYQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO/c1-12-4-2-6-14(10-8-12)17-15-7-3-5-13(16)9-11-15/h2,4-5,7-11H,3H2,1H3.
What are the key properties of 1-(5-chlorocyclohepta-1,4,6-trien-1-yl)oxy-5-methylcyclohepta-1,2,4,6-tetraene?
1-(5-chlorocyclohepta-1,4,6-trien-1-yl)oxy-5-methylcyclohepta-1,2,4,6-tetraene has a molecular weight of 244.72 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorocyclohepta-1,4,6-trien-1-yl)oxy-5-methylcyclohepta-1,2,4,6-tetraene is sourced from PubChem (CID 145350502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).