3-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carbaldehyde

C19H18O — CID 10199137

IUPAC3-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carbaldehyde
SMILESCc1ccc(-c2ccc3c(c2)C=C(C=O)CCC3)cc1
InChIInChI=1S/C19H18O/c1-14-5-7-17(8-6-14)18-10-9-16-4-2-3-15(13-20)11-19(16)12-18/h5-13H,2-4H2,1H3
InChIKeyGKULGEFDPOXDBA-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.58
Rot. Bonds2

About 3-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carbaldehyde

3-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carbaldehyde (PubChem CID 10199137) has the molecular formula C19H18O and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carbaldehyde.

Molecular Properties

Compound Name3-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carbaldehyde
PubChem CID10199137
Molecular FormulaC19H18O
Molecular Weight262.35 g/mol
Exact Mass262.14
IUPAC Name3-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carbaldehyde
SMILESCc1ccc(-c2ccc3c(c2)C=C(C=O)CCC3)cc1
InChIInChI=1S/C19H18O/c1-14-5-7-17(8-6-14)18-10-9-16-4-2-3-15(13-20)11-19(16)12-18/h5-13H,2-4H2,1H3
InChIKeyGKULGEFDPOXDBA-UHFFFAOYSA-N
XLogP4.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-methylphenyl)-2,3-dihydro-1H-indene
CID 59217485
5-methyl-1H-indene-2-carbaldehyde
CID 59074545
4-(2,3-dihydro-1H-inden-5-yl)benzaldehyde
CID 54910359
3,4-dihydronaphthalene-2-carbaldehyde;hydron
CID 174414426
8-(4-methylphenyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 57076404
7-(4-methylphenyl)-3,4-dihydro-2H-chromene
CID 144987040
2-[7-(4-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanamine
CID 82542874
N-[3-[2-(diethylamino)ethoxy]phenyl]-3-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carboxamide
CID 143836367
N-methyl-7-(4-methylphenyl)-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]-3,4-dihydronaphthalene-2-carboxamide
CID 24885005
5-(2,3-dihydro-1H-inden-5-yl)-3-methyl-1,2-oxazole-4-carbaldehyde
CID 82128256
(5E)-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-3-(4-methylphenyl)-7,8,9,10-tetrahydrobenzo[8]annulene-6-carboxamide
CID 142820571
3-(2,3-dihydro-1H-inden-5-yl)-5-methylaniline
CID 107579783

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carbaldehyde?
The IUPAC name of 3-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carbaldehyde (CID 10199137) is 3-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carbaldehyde.
What is the SMILES notation for 3-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carbaldehyde?
The canonical SMILES for 3-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carbaldehyde is Cc1ccc(-c2ccc3c(c2)C=C(C=O)CCC3)cc1.
What is the InChIKey of 3-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carbaldehyde?
The InChIKey is GKULGEFDPOXDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O/c1-14-5-7-17(8-6-14)18-10-9-16-4-2-3-15(13-20)11-19(16)12-18/h5-13H,2-4H2,1H3.
What are the key properties of 3-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carbaldehyde?
3-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carbaldehyde has a molecular weight of 262.35 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carbaldehyde is sourced from PubChem (CID 10199137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).