(10S)-10-phenyltetracyclo[7.2.1.02,11.03,8]dodeca-3,5,7-triene-2-carbaldehyde

C19H16O — CID 135061566

IUPAC(10S)-10-phenyltetracyclo[7.2.1.02,11.03,8]dodeca-3,5,7-triene-2-carbaldehyde
SMILESO=CC12c3ccccc3C3CC1C2C3c1ccccc1
InChIInChI=1S/C19H16O/c20-11-19-15-9-5-4-8-13(15)14-10-16(19)18(19)17(14)12-6-2-1-3-7-12/h1-9,11,14,16-18H,10H2
InChIKeyWVEUOSJZSCSYRD-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.65
Rot. Bonds2

About (10S)-10-phenyltetracyclo[7.2.1.02,11.03,8]dodeca-3,5,7-triene-2-carbaldehyde

(10S)-10-phenyltetracyclo[7.2.1.02,11.03,8]dodeca-3,5,7-triene-2-carbaldehyde (PubChem CID 135061566) has the molecular formula C19H16O and a molecular weight of 260.34 g/mol. Its IUPAC name is (10S)-10-phenyltetracyclo[7.2.1.02,11.03,8]dodeca-3,5,7-triene-2-carbaldehyde.

Molecular Properties

Compound Name(10S)-10-phenyltetracyclo[7.2.1.02,11.03,8]dodeca-3,5,7-triene-2-carbaldehyde
PubChem CID135061566
Molecular FormulaC19H16O
Molecular Weight260.34 g/mol
Exact Mass260.12
IUPAC Name(10S)-10-phenyltetracyclo[7.2.1.02,11.03,8]dodeca-3,5,7-triene-2-carbaldehyde
SMILESO=CC12c3ccccc3C3CC1C2C3c1ccccc1
InChIInChI=1S/C19H16O/c20-11-19-15-9-5-4-8-13(15)14-10-16(19)18(19)17(14)12-6-2-1-3-7-12/h1-9,11,14,16-18H,10H2
InChIKeyWVEUOSJZSCSYRD-UHFFFAOYSA-N
XLogP3.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (10S)-10-phenyltetracyclo[7.2.1.02,11.03,8]dodeca-3,5,7-triene-2-carbaldehyde with MolForge

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Related Compounds

pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaene-9-carbaldehyde
CID 90482137
(2S,16S)-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaene-9-carbaldehyde
CID 98163241
3-amino-1-(2-phenylcyclopropyl)-2,3-dihydroinden-1-ol
CID 107089509
phenyl-[(1S,8R,9S,10R)-10-phenyl-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]methanone
CID 154708999
2-ethylidene-3,3-dimethyl-1a,7b-dihydro-1H-cyclopropa[a]naphthalene
CID 123196615
(2S,3S)-8,9-diphenyltetracyclo[4.3.0.02,4.03,7]nonan-2-ol
CID 23308399
(1S,2S,3S)-2-methyl-1,3-diphenylcyclopropane-1-carbaldehyde
CID 135068729
4-[(1S,2R)-2-phenylcyclopropyl]oxybenzaldehyde
CID 99785951
1-(2-methylprop-2-enyl)-3-phenyl-2,3-dihydroindene-1-carbaldehyde
CID 169287909
(3aS,4R,8bS)-4-hydroxy-2,3,3a,8b-tetrahydro-1H-cyclopenta[a]indene-4-carboxylic acid
CID 124707596
3-hydroxy-1-methyl-4-phenylcyclohexane-1-carbaldehyde
CID 174740650
N-[(1R,2S)-2-phenylcyclopropyl]formamide
CID 86650780

Frequently Asked Questions

What is the IUPAC name of (10S)-10-phenyltetracyclo[7.2.1.02,11.03,8]dodeca-3,5,7-triene-2-carbaldehyde?
The IUPAC name of (10S)-10-phenyltetracyclo[7.2.1.02,11.03,8]dodeca-3,5,7-triene-2-carbaldehyde (CID 135061566) is (10S)-10-phenyltetracyclo[7.2.1.02,11.03,8]dodeca-3,5,7-triene-2-carbaldehyde.
What is the SMILES notation for (10S)-10-phenyltetracyclo[7.2.1.02,11.03,8]dodeca-3,5,7-triene-2-carbaldehyde?
The canonical SMILES for (10S)-10-phenyltetracyclo[7.2.1.02,11.03,8]dodeca-3,5,7-triene-2-carbaldehyde is O=CC12c3ccccc3C3CC1C2C3c1ccccc1.
What is the InChIKey of (10S)-10-phenyltetracyclo[7.2.1.02,11.03,8]dodeca-3,5,7-triene-2-carbaldehyde?
The InChIKey is WVEUOSJZSCSYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O/c20-11-19-15-9-5-4-8-13(15)14-10-16(19)18(19)17(14)12-6-2-1-3-7-12/h1-9,11,14,16-18H,10H2.
What are the key properties of (10S)-10-phenyltetracyclo[7.2.1.02,11.03,8]dodeca-3,5,7-triene-2-carbaldehyde?
(10S)-10-phenyltetracyclo[7.2.1.02,11.03,8]dodeca-3,5,7-triene-2-carbaldehyde has a molecular weight of 260.34 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-10-phenyltetracyclo[7.2.1.02,11.03,8]dodeca-3,5,7-triene-2-carbaldehyde is sourced from PubChem (CID 135061566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).