3-cyclohexa-1,5-dien-1-yl-2-hydroxybenzaldehyde;ethane

C15H18O2 — CID 153350231

IUPAC3-cyclohexa-1,5-dien-1-yl-2-hydroxybenzaldehyde;ethane
SMILESCC.O=Cc1cccc(C2=CCCC=C2)c1O
InChIInChI=1S/C13H12O2.C2H6/c14-9-11-7-4-8-12(13(11)15)10-5-2-1-3-6-10;1-2/h2,4-9,15H,1,3H2;1-2H3
InChIKeyJXOIOAKFKNONMR-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.96
Rot. Bonds2

About 3-cyclohexa-1,5-dien-1-yl-2-hydroxybenzaldehyde;ethane

3-cyclohexa-1,5-dien-1-yl-2-hydroxybenzaldehyde;ethane (PubChem CID 153350231) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-cyclohexa-1,5-dien-1-yl-2-hydroxybenzaldehyde;ethane.

Molecular Properties

Compound Name3-cyclohexa-1,5-dien-1-yl-2-hydroxybenzaldehyde;ethane
PubChem CID153350231
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name3-cyclohexa-1,5-dien-1-yl-2-hydroxybenzaldehyde;ethane
SMILESCC.O=Cc1cccc(C2=CCCC=C2)c1O
InChIInChI=1S/C13H12O2.C2H6/c14-9-11-7-4-8-12(13(11)15)10-5-2-1-3-6-10;1-2/h2,4-9,15H,1,3H2;1-2H3
InChIKeyJXOIOAKFKNONMR-UHFFFAOYSA-N
XLogP3.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-3-(4-methylphenyl)benzaldehyde
CID 22507827
1-(3-cyclohexa-1,5-dien-1-ylphenyl)ethanone
CID 126694355
2,3-dihydroxybenzaldehyde
CID 159243971
1-cyclohexa-1,5-dien-1-yl-2-methyl-3-phenylbenzene
CID 144787270
2-cyclohexa-1,5-dien-1-yl-6-[(E)-2-[4-formyl-5-methoxy-2-(trifluoromethyl)phenyl]ethenyl]benzonitrile
CID 170023970
2-hydroxy-3-thiophen-2-ylbenzaldehyde
CID 53220277
2-[(E)-2-[4-chloro-5-(cyanomethoxy)-2-formylphenyl]ethenyl]-6-cyclohexa-1,5-dien-1-ylbenzonitrile
CID 170029814
3-acetyl-2-hydroxybenzaldehyde
CID 10975813
N-[2-(3-formyl-2-hydroxyphenyl)phenyl]-2,2-dimethylpropanamide
CID 87405583
4-(3-formyl-2-hydroxyphenyl)thiophene-2-carbaldehyde
CID 53220367
2-cyclohexa-1,5-dien-1-ylsulfanylbenzaldehyde
CID 145113291
2-hydroxy-3-methoxybenzaldehyde
CID 8991

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,5-dien-1-yl-2-hydroxybenzaldehyde;ethane?
The IUPAC name of 3-cyclohexa-1,5-dien-1-yl-2-hydroxybenzaldehyde;ethane (CID 153350231) is 3-cyclohexa-1,5-dien-1-yl-2-hydroxybenzaldehyde;ethane.
What is the SMILES notation for 3-cyclohexa-1,5-dien-1-yl-2-hydroxybenzaldehyde;ethane?
The canonical SMILES for 3-cyclohexa-1,5-dien-1-yl-2-hydroxybenzaldehyde;ethane is CC.O=Cc1cccc(C2=CCCC=C2)c1O.
What is the InChIKey of 3-cyclohexa-1,5-dien-1-yl-2-hydroxybenzaldehyde;ethane?
The InChIKey is JXOIOAKFKNONMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2.C2H6/c14-9-11-7-4-8-12(13(11)15)10-5-2-1-3-6-10;1-2/h2,4-9,15H,1,3H2;1-2H3.
What are the key properties of 3-cyclohexa-1,5-dien-1-yl-2-hydroxybenzaldehyde;ethane?
3-cyclohexa-1,5-dien-1-yl-2-hydroxybenzaldehyde;ethane has a molecular weight of 230.31 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-1,5-dien-1-yl-2-hydroxybenzaldehyde;ethane is sourced from PubChem (CID 153350231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).