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

C18H16O — CID 14148821

IUPAC3,4,5,6-tetrahydro-2H-chrysen-1-one
SMILESO=C1CCCc2c1ccc1c2CCc2ccccc2-1
InChIInChI=1S/C18H16O/c19-18-7-3-6-14-16-9-8-12-4-1-2-5-13(12)15(16)10-11-17(14)18/h1-2,4-5,10-11H,3,6-9H2
InChIKeyKVMNSLAMBBOLML-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.97
Rot. Bonds

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

3,4,5,6-tetrahydro-2H-chrysen-1-one (PubChem CID 14148821) has the molecular formula C18H16O and a molecular weight of 248.33 g/mol. Its IUPAC name is 3,4,5,6-tetrahydro-2H-chrysen-1-one.

Molecular Properties

Compound Name3,4,5,6-tetrahydro-2H-chrysen-1-one
PubChem CID14148821
Molecular FormulaC18H16O
Molecular Weight248.33 g/mol
Exact Mass248.12
IUPAC Name3,4,5,6-tetrahydro-2H-chrysen-1-one
SMILESO=C1CCCc2c1ccc1c2CCc2ccccc2-1
InChIInChI=1S/C18H16O/c19-18-7-3-6-14-16-9-8-12-4-1-2-5-13(12)15(16)10-11-17(14)18/h1-2,4-5,10-11H,3,6-9H2
InChIKeyKVMNSLAMBBOLML-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 3,4,5,6-tetrahydro-2H-chrysen-1-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

2,3-dihydro-1H-indene;3,4-dihydro-2H-naphthalen-1-one;9H-fluorene;1,2,3,4-tetrahydronaphthalene
CID 158268251
2,6,7,8-tetrahydro-1H-as-indacen-3-one
CID 638795
9,10-dihydrophenanthrene;methane
CID 174728506
tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,16,18-nonaene
CID 12568460
benzene;cyclohexane;cyclohexanone;cyclopentane;cyclopentanone;2,3-dihydro-1H-indene;2,3-dihydroinden-1-one;3,4-dihydro-2H-naphthalen-1-one;naphthalene;1,2,3,4-tetrahydronaphthalene
CID 159746722
1,2,4,5,6,7-hexahydro-4-benzazecine-3,8-dione
CID 154328420
7,8,9,10-tetrahydrobenzo[8]annulene-5,6-dione
CID 13190621
tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-6-carboxylic acid
CID 13281341
9,10-dihydrophenanthrene;ethane
CID 143759681
2,3-dihydro-1H-indene;2,3-dihydroinden-1-one;3,4-dihydro-2H-naphthalen-1-one;ethane;methane;tetrakis(2-methylpropane);propane;1,2,3,4-tetrahydronaphthalene
CID 161253629
1-bromo-9,10-dihydrophenanthrene
CID 147917753
3,4-dihydro-2H-naphthalen-1-one;2,2,2-trifluoroacetamide
CID 143654538

Frequently Asked Questions

What is the IUPAC name of 3,4,5,6-tetrahydro-2H-chrysen-1-one?
The IUPAC name of 3,4,5,6-tetrahydro-2H-chrysen-1-one (CID 14148821) is 3,4,5,6-tetrahydro-2H-chrysen-1-one.
What is the SMILES notation for 3,4,5,6-tetrahydro-2H-chrysen-1-one?
The canonical SMILES for 3,4,5,6-tetrahydro-2H-chrysen-1-one is O=C1CCCc2c1ccc1c2CCc2ccccc2-1.
What is the InChIKey of 3,4,5,6-tetrahydro-2H-chrysen-1-one?
The InChIKey is KVMNSLAMBBOLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O/c19-18-7-3-6-14-16-9-8-12-4-1-2-5-13(12)15(16)10-11-17(14)18/h1-2,4-5,10-11H,3,6-9H2.
What are the key properties of 3,4,5,6-tetrahydro-2H-chrysen-1-one?
3,4,5,6-tetrahydro-2H-chrysen-1-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 3,4,5,6-tetrahydro-2H-chrysen-1-one is sourced from PubChem (CID 14148821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).