4,5-dihydro-3H-chrysen-2-one

C18H14O — CID 174363316

IUPAC4,5-dihydro-3H-chrysen-2-one
SMILESO=C1C=c2ccc3c(c2CC1)CC=c1ccccc1=3
InChIInChI=1S/C18H14O/c19-14-7-10-16-13(11-14)6-9-17-15-4-2-1-3-12(15)5-8-18(16)17/h1-6,9,11H,7-8,10H2
InChIKeyXXVNLAXYEJTJFO-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.61
Rot. Bonds

About 4,5-dihydro-3H-chrysen-2-one

4,5-dihydro-3H-chrysen-2-one (PubChem CID 174363316) has the molecular formula C18H14O and a molecular weight of 246.31 g/mol. Its IUPAC name is 4,5-dihydro-3H-chrysen-2-one.

Molecular Properties

Compound Name4,5-dihydro-3H-chrysen-2-one
PubChem CID174363316
Molecular FormulaC18H14O
Molecular Weight246.31 g/mol
Exact Mass246.10
IUPAC Name4,5-dihydro-3H-chrysen-2-one
SMILESO=C1C=c2ccc3c(c2CC1)CC=c1ccccc1=3
InChIInChI=1S/C18H14O/c19-14-7-10-16-13(11-14)6-9-17-15-4-2-1-3-12(15)5-8-18(16)17/h1-6,9,11H,7-8,10H2
InChIKeyXXVNLAXYEJTJFO-UHFFFAOYSA-N
XLogP1.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-3H-chrysen-2-one?
The IUPAC name of 4,5-dihydro-3H-chrysen-2-one (CID 174363316) is 4,5-dihydro-3H-chrysen-2-one.
What is the SMILES notation for 4,5-dihydro-3H-chrysen-2-one?
The canonical SMILES for 4,5-dihydro-3H-chrysen-2-one is O=C1C=c2ccc3c(c2CC1)CC=c1ccccc1=3.
What is the InChIKey of 4,5-dihydro-3H-chrysen-2-one?
The InChIKey is XXVNLAXYEJTJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O/c19-14-7-10-16-13(11-14)6-9-17-15-4-2-1-3-12(15)5-8-18(16)17/h1-6,9,11H,7-8,10H2.
What are the key properties of 4,5-dihydro-3H-chrysen-2-one?
4,5-dihydro-3H-chrysen-2-one has a molecular weight of 246.31 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-3H-chrysen-2-one is sourced from PubChem (CID 174363316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).