2,3,4,6-tetrahydro-1H-chrysen-5-one

C18H16O — CID 174299531

IUPAC2,3,4,6-tetrahydro-1H-chrysen-5-one
SMILESO=C1Cc2ccccc2-c2ccc3c(c21)CCCC3
InChIInChI=1S/C18H16O/c19-17-11-13-6-2-3-7-14(13)16-10-9-12-5-1-4-8-15(12)18(16)17/h2-3,6-7,9-10H,1,4-5,8,11H2
InChIKeyNVOFCLNNMCWJSR-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.97
Rot. Bonds

About 2,3,4,6-tetrahydro-1H-chrysen-5-one

2,3,4,6-tetrahydro-1H-chrysen-5-one (PubChem CID 174299531) has the molecular formula C18H16O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2,3,4,6-tetrahydro-1H-chrysen-5-one.

Molecular Properties

Compound Name2,3,4,6-tetrahydro-1H-chrysen-5-one
PubChem CID174299531
Molecular FormulaC18H16O
Molecular Weight248.33 g/mol
Exact Mass248.12
IUPAC Name2,3,4,6-tetrahydro-1H-chrysen-5-one
SMILESO=C1Cc2ccccc2-c2ccc3c(c21)CCCC3
InChIInChI=1S/C18H16O/c19-17-11-13-6-2-3-7-14(13)16-10-9-12-5-1-4-8-15(12)18(16)17/h2-3,6-7,9-10H,1,4-5,8,11H2
InChIKeyNVOFCLNNMCWJSR-UHFFFAOYSA-N
XLogP3.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,3,4,6-tetrahydro-1H-chrysen-5-one 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

tetracyclo[11.7.0.02,10.03,8]icosa-1(13),2(10),3,5,7,11-hexaene
CID 91804905
(11-oxo-8,9,10,12-tetrahydro-7H-chrysen-2-yl) sulfamate
CID 20817636
2,3-dihydro-1H-indene;3,4-dihydro-2H-naphthalen-1-one;9H-fluorene;1,2,3,4-tetrahydronaphthalene
CID 158268251
4-oxatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),7-triene-3,5-dione
CID 101490338
2,3,6,7,8,9-hexahydrocyclopenta[a]naphthalen-1-one
CID 640563
1H-azepine;2,3,4,5-tetrahydro-1H-chrysen-6-one
CID 174319743
9-(5,6,7,8-tetrahydronaphthalen-1-yl)-10-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]anthracene
CID 59858821
tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaene-2,11-dione
CID 163817575
tetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,9,12,14,16-hexaene
CID 90965894
3,4,5,6-tetrahydro-2H-chrysen-1-one
CID 14148821
7,8,9,10-tetrahydrobenzo[8]annulene-5,6-dione
CID 13190621
1,2-dihydrocyclobuta[a]anthracene-5,10-dione
CID 23511070

Frequently Asked Questions

What is the IUPAC name of 2,3,4,6-tetrahydro-1H-chrysen-5-one?
The IUPAC name of 2,3,4,6-tetrahydro-1H-chrysen-5-one (CID 174299531) is 2,3,4,6-tetrahydro-1H-chrysen-5-one.
What is the SMILES notation for 2,3,4,6-tetrahydro-1H-chrysen-5-one?
The canonical SMILES for 2,3,4,6-tetrahydro-1H-chrysen-5-one is O=C1Cc2ccccc2-c2ccc3c(c21)CCCC3.
What is the InChIKey of 2,3,4,6-tetrahydro-1H-chrysen-5-one?
The InChIKey is NVOFCLNNMCWJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O/c19-17-11-13-6-2-3-7-14(13)16-10-9-12-5-1-4-8-15(12)18(16)17/h2-3,6-7,9-10H,1,4-5,8,11H2.
What are the key properties of 2,3,4,6-tetrahydro-1H-chrysen-5-one?
2,3,4,6-tetrahydro-1H-chrysen-5-one has a molecular weight of 248.33 g/mol, XLogP of 3.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6-tetrahydro-1H-chrysen-5-one is sourced from PubChem (CID 174299531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).