2-hydroxy-1-(17-tetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaenyl)ethanone

C19H18O2 — CID 158276826

IUPAC2-hydroxy-1-(17-tetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaenyl)ethanone
SMILESO=C(CO)C1CC2c3ccccc3CC1c1ccccc12
InChIInChI=1S/C19H18O2/c20-11-19(21)18-10-17-13-6-2-1-5-12(13)9-16(18)14-7-3-4-8-15(14)17/h1-8,16-18,20H,9-11H2
InChIKeyJDPFGUPDORKIGX-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.04
Rot. Bonds2

About 2-hydroxy-1-(17-tetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaenyl)ethanone

2-hydroxy-1-(17-tetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaenyl)ethanone (PubChem CID 158276826) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-hydroxy-1-(17-tetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaenyl)ethanone.

Molecular Properties

Compound Name2-hydroxy-1-(17-tetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaenyl)ethanone
PubChem CID158276826
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name2-hydroxy-1-(17-tetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaenyl)ethanone
SMILESO=C(CO)C1CC2c3ccccc3CC1c1ccccc12
InChIInChI=1S/C19H18O2/c20-11-19(21)18-10-17-13-6-2-1-5-12(13)9-16(18)14-7-3-4-8-15(14)17/h1-8,16-18,20H,9-11H2
InChIKeyJDPFGUPDORKIGX-UHFFFAOYSA-N
XLogP3.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-hydroxy-1-(17-tetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaenyl)ethanone with MolForge

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Related Compounds

2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2-phenylcyclopropyl)ethanone
CID 115780160
bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl iodide
CID 22956884
(2aS,7bS)-1-(hydroxymethyl)-3,7b-dihydro-2aH-indeno[1,2-b]azet-2-one
CID 11159789
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-phenylethanone
CID 23248
2,3-dihydro-1H-indene-1,2-dicarboxylic acid
CID 21427203
2-chloro-1-[(1S,2R)-2-phenylcyclopropyl]ethanone
CID 164769669
(1R,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylic acid
CID 70327463
N-(4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 3976006
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4,4-dimethylpentan-1-one
CID 64982056
2-chloro-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 70272915
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methylpent-4-en-1-one
CID 114473574
2,2-dichloro-7,7a-dihydro-2aH-cyclobuta[a]inden-1-one
CID 2776683

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(17-tetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaenyl)ethanone?
The IUPAC name of 2-hydroxy-1-(17-tetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaenyl)ethanone (CID 158276826) is 2-hydroxy-1-(17-tetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaenyl)ethanone.
What is the SMILES notation for 2-hydroxy-1-(17-tetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaenyl)ethanone?
The canonical SMILES for 2-hydroxy-1-(17-tetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaenyl)ethanone is O=C(CO)C1CC2c3ccccc3CC1c1ccccc12.
What is the InChIKey of 2-hydroxy-1-(17-tetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaenyl)ethanone?
The InChIKey is JDPFGUPDORKIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2/c20-11-19(21)18-10-17-13-6-2-1-5-12(13)9-16(18)14-7-3-4-8-15(14)17/h1-8,16-18,20H,9-11H2.
What are the key properties of 2-hydroxy-1-(17-tetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaenyl)ethanone?
2-hydroxy-1-(17-tetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaenyl)ethanone has a molecular weight of 278.35 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(17-tetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaenyl)ethanone is sourced from PubChem (CID 158276826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).