4-cyclohexa-1,3-dien-1-ylbenzaldehyde

C13H12O — CID 89145336

IUPAC4-cyclohexa-1,3-dien-1-ylbenzaldehyde
SMILESO=Cc1ccc(C2=CC=CCC2)cc1
InChIInChI=1S/C13H12O/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-2,4,6-10H,3,5H2
InChIKeyQYDVZKRYJRZVSA-UHFFFAOYSA-N
MW184.24 g/mol
LogP3.23
Rot. Bonds2

About 4-cyclohexa-1,3-dien-1-ylbenzaldehyde

4-cyclohexa-1,3-dien-1-ylbenzaldehyde (PubChem CID 89145336) has the molecular formula C13H12O and a molecular weight of 184.24 g/mol. Its IUPAC name is 4-cyclohexa-1,3-dien-1-ylbenzaldehyde.

Molecular Properties

Compound Name4-cyclohexa-1,3-dien-1-ylbenzaldehyde
PubChem CID89145336
Molecular FormulaC13H12O
Molecular Weight184.24 g/mol
Exact Mass184.09
IUPAC Name4-cyclohexa-1,3-dien-1-ylbenzaldehyde
SMILESO=Cc1ccc(C2=CC=CCC2)cc1
InChIInChI=1S/C13H12O/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-2,4,6-10H,3,5H2
InChIKeyQYDVZKRYJRZVSA-UHFFFAOYSA-N
XLogP3.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene
CID 123265998
4-[4-[(2R)-2-cyclohexa-1,3-dien-1-ylpropyl]phenyl]benzaldehyde
CID 89277097
4-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166859893
2-cyclohexa-1,3-dien-1-yl-6-methylnaphthalene
CID 143516751
[4-[4-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]phenyl]phenyl]-trimethylsilane
CID 174151682
(1E,3Z,5Z)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]cycloocta-1,3,5-triene
CID 170397618
1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane
CID 144938549
4-(4-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)anilino)benzaldehyde
CID 88863583
2-cyclohexa-1,3-dien-1-yl-9,9'-spirobi[fluorene]
CID 142381902
4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)benzaldehyde
CID 130331777
4-(cyclohepta-1,3,6-triene-1-carbonyl)benzaldehyde
CID 143766006
(1E,3Z,5Z)-1-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]phenyl]cycloocta-1,3,5-triene
CID 170397624

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,3-dien-1-ylbenzaldehyde?
The IUPAC name of 4-cyclohexa-1,3-dien-1-ylbenzaldehyde (CID 89145336) is 4-cyclohexa-1,3-dien-1-ylbenzaldehyde.
What is the SMILES notation for 4-cyclohexa-1,3-dien-1-ylbenzaldehyde?
The canonical SMILES for 4-cyclohexa-1,3-dien-1-ylbenzaldehyde is O=Cc1ccc(C2=CC=CCC2)cc1.
What is the InChIKey of 4-cyclohexa-1,3-dien-1-ylbenzaldehyde?
The InChIKey is QYDVZKRYJRZVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-2,4,6-10H,3,5H2.
What are the key properties of 4-cyclohexa-1,3-dien-1-ylbenzaldehyde?
4-cyclohexa-1,3-dien-1-ylbenzaldehyde has a molecular weight of 184.24 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,3-dien-1-ylbenzaldehyde is sourced from PubChem (CID 89145336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).