cyclohexa-1,3-dien-1-yloxybenzene

C12H12O — CID 19734973

IUPACcyclohexa-1,3-dien-1-yloxybenzene
SMILESC1=CCCC(Oc2ccccc2)=C1
InChIInChI=1S/C12H12O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-5,7-9H,6,10H2
InChIKeyKEGDFYGVWUPBGL-UHFFFAOYSA-N
MW172.23 g/mol
LogP3.30
Rot. Bonds2

About cyclohexa-1,3-dien-1-yloxybenzene

cyclohexa-1,3-dien-1-yloxybenzene (PubChem CID 19734973) has the molecular formula C12H12O and a molecular weight of 172.23 g/mol. Its IUPAC name is cyclohexa-1,3-dien-1-yloxybenzene.

Molecular Properties

Compound Namecyclohexa-1,3-dien-1-yloxybenzene
PubChem CID19734973
Molecular FormulaC12H12O
Molecular Weight172.23 g/mol
Exact Mass172.09
IUPAC Namecyclohexa-1,3-dien-1-yloxybenzene
SMILESC1=CCCC(Oc2ccccc2)=C1
InChIInChI=1S/C12H12O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-5,7-9H,6,10H2
InChIKeyKEGDFYGVWUPBGL-UHFFFAOYSA-N
XLogP3.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,3-dien-1-yloxybenzene?
The IUPAC name of cyclohexa-1,3-dien-1-yloxybenzene (CID 19734973) is cyclohexa-1,3-dien-1-yloxybenzene.
What is the SMILES notation for cyclohexa-1,3-dien-1-yloxybenzene?
The canonical SMILES for cyclohexa-1,3-dien-1-yloxybenzene is C1=CCCC(Oc2ccccc2)=C1.
What is the InChIKey of cyclohexa-1,3-dien-1-yloxybenzene?
The InChIKey is KEGDFYGVWUPBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-5,7-9H,6,10H2.
What are the key properties of cyclohexa-1,3-dien-1-yloxybenzene?
cyclohexa-1,3-dien-1-yloxybenzene has a molecular weight of 172.23 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,3-dien-1-yloxybenzene is sourced from PubChem (CID 19734973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).