6-methyl-4-naphthalen-2-ylcyclohexa-1,3-diene-1-carbaldehyde

C18H16O — CID 24859558

IUPAC6-methyl-4-naphthalen-2-ylcyclohexa-1,3-diene-1-carbaldehyde
SMILESCC1CC(c2ccc3ccccc3c2)=CC=C1C=O
InChIInChI=1S/C18H16O/c1-13-10-16(8-9-18(13)12-19)17-7-6-14-4-2-3-5-15(14)11-17/h2-9,11-13H,10H2,1H3
InChIKeyXXBSFNUXRCZDQT-UHFFFAOYSA-N
MW248.33 g/mol
LogP4.39
Rot. Bonds2

About 6-methyl-4-naphthalen-2-ylcyclohexa-1,3-diene-1-carbaldehyde

6-methyl-4-naphthalen-2-ylcyclohexa-1,3-diene-1-carbaldehyde (PubChem CID 24859558) has the molecular formula C18H16O and a molecular weight of 248.33 g/mol. Its IUPAC name is 6-methyl-4-naphthalen-2-ylcyclohexa-1,3-diene-1-carbaldehyde.

Molecular Properties

Compound Name6-methyl-4-naphthalen-2-ylcyclohexa-1,3-diene-1-carbaldehyde
PubChem CID24859558
Molecular FormulaC18H16O
Molecular Weight248.33 g/mol
Exact Mass248.12
IUPAC Name6-methyl-4-naphthalen-2-ylcyclohexa-1,3-diene-1-carbaldehyde
SMILESCC1CC(c2ccc3ccccc3c2)=CC=C1C=O
InChIInChI=1S/C18H16O/c1-13-10-16(8-9-18(13)12-19)17-7-6-14-4-2-3-5-15(14)11-17/h2-9,11-13H,10H2,1H3
InChIKeyXXBSFNUXRCZDQT-UHFFFAOYSA-N
XLogP4.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-naphthalen-2-ylcyclohexa-1,3-diene-1-carbaldehyde?
The IUPAC name of 6-methyl-4-naphthalen-2-ylcyclohexa-1,3-diene-1-carbaldehyde (CID 24859558) is 6-methyl-4-naphthalen-2-ylcyclohexa-1,3-diene-1-carbaldehyde.
What is the SMILES notation for 6-methyl-4-naphthalen-2-ylcyclohexa-1,3-diene-1-carbaldehyde?
The canonical SMILES for 6-methyl-4-naphthalen-2-ylcyclohexa-1,3-diene-1-carbaldehyde is CC1CC(c2ccc3ccccc3c2)=CC=C1C=O.
What is the InChIKey of 6-methyl-4-naphthalen-2-ylcyclohexa-1,3-diene-1-carbaldehyde?
The InChIKey is XXBSFNUXRCZDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O/c1-13-10-16(8-9-18(13)12-19)17-7-6-14-4-2-3-5-15(14)11-17/h2-9,11-13H,10H2,1H3.
What are the key properties of 6-methyl-4-naphthalen-2-ylcyclohexa-1,3-diene-1-carbaldehyde?
6-methyl-4-naphthalen-2-ylcyclohexa-1,3-diene-1-carbaldehyde has a molecular weight of 248.33 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-naphthalen-2-ylcyclohexa-1,3-diene-1-carbaldehyde is sourced from PubChem (CID 24859558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).