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

C17H14O — CID 24859115

IUPAC4-naphthalen-2-ylcyclohexa-1,3-diene-1-carbaldehyde
SMILESO=CC1=CC=C(c2ccc3ccccc3c2)CC1
InChIInChI=1S/C17H14O/c18-12-13-5-7-15(8-6-13)17-10-9-14-3-1-2-4-16(14)11-17/h1-5,7,9-12H,6,8H2
InChIKeyHDOPZCDRMQSARS-UHFFFAOYSA-N
MW234.30 g/mol
LogP4.14
Rot. Bonds2

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

4-naphthalen-2-ylcyclohexa-1,3-diene-1-carbaldehyde (PubChem CID 24859115) has the molecular formula C17H14O and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-naphthalen-2-ylcyclohexa-1,3-diene-1-carbaldehyde.

Molecular Properties

Compound Name4-naphthalen-2-ylcyclohexa-1,3-diene-1-carbaldehyde
PubChem CID24859115
Molecular FormulaC17H14O
Molecular Weight234.30 g/mol
Exact Mass234.10
IUPAC Name4-naphthalen-2-ylcyclohexa-1,3-diene-1-carbaldehyde
SMILESO=CC1=CC=C(c2ccc3ccccc3c2)CC1
InChIInChI=1S/C17H14O/c18-12-13-5-7-15(8-6-13)17-10-9-14-3-1-2-4-16(14)11-17/h1-5,7,9-12H,6,8H2
InChIKeyHDOPZCDRMQSARS-UHFFFAOYSA-N
XLogP4.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 54.14
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

2-[4-(10-naphthalen-2-ylanthracen-9-yl)cyclohexa-1,3-dien-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 155203939
2-[[4-(4-dinaphthalen-2-ylphosphorylphenyl)phenyl]-naphthalen-2-ylphosphoryl]naphthalene
CID 58982866
benzo[f]azulene
CID 13065869
3-chloro-5-naphthalen-2-ylbenzaldehyde
CID 122475980
2-naphthalen-2-yl-4-phenylbenzaldehyde
CID 152589859
4,6-dibromo-2-naphthalen-2-ylpyrimidine
CID 71324653
5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazole-2-carbaldehyde
CID 3453890
3-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]benzaldehyde
CID 88533868
6-(4-phenylphenyl)naphthalene-2-carbaldehyde
CID 59801235
ethane;2-naphthalen-2-ylnaphthalene;bis(prop-1-ene)
CID 144938631
7-naphthalen-2-yl-3-phenyl-5,6-dihydrotriphenylen-2-amine
CID 88889148
2-N,2-N,6-N,6-N-tetranaphthalen-2-yl-9-(4-phenylcyclohexa-1,3-dien-1-yl)-10-(4-phenylphenyl)anthracene-2,6-diamine
CID 89152588

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-ylcyclohexa-1,3-diene-1-carbaldehyde?
The IUPAC name of 4-naphthalen-2-ylcyclohexa-1,3-diene-1-carbaldehyde (CID 24859115) is 4-naphthalen-2-ylcyclohexa-1,3-diene-1-carbaldehyde.
What is the SMILES notation for 4-naphthalen-2-ylcyclohexa-1,3-diene-1-carbaldehyde?
The canonical SMILES for 4-naphthalen-2-ylcyclohexa-1,3-diene-1-carbaldehyde is O=CC1=CC=C(c2ccc3ccccc3c2)CC1.
What is the InChIKey of 4-naphthalen-2-ylcyclohexa-1,3-diene-1-carbaldehyde?
The InChIKey is HDOPZCDRMQSARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O/c18-12-13-5-7-15(8-6-13)17-10-9-14-3-1-2-4-16(14)11-17/h1-5,7,9-12H,6,8H2.
What are the key properties of 4-naphthalen-2-ylcyclohexa-1,3-diene-1-carbaldehyde?
4-naphthalen-2-ylcyclohexa-1,3-diene-1-carbaldehyde has a molecular weight of 234.30 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-ylcyclohexa-1,3-diene-1-carbaldehyde is sourced from PubChem (CID 24859115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).