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

C18H14O2 — CID 174891362

IUPAC1-hydroxy-4,5-dihydro-3H-chrysen-2-one
SMILESO=C1CCc2c3c(ccc2=C1O)=c1ccccc1=CC3
InChIInChI=1S/C18H14O2/c19-17-10-9-15-14-6-5-11-3-1-2-4-12(11)13(14)7-8-16(15)18(17)20/h1-5,7-8,20H,6,9-10H2
InChIKeyMQGSHLXNWUMCDG-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.49
Rot. Bonds

About 1-hydroxy-4,5-dihydro-3H-chrysen-2-one

1-hydroxy-4,5-dihydro-3H-chrysen-2-one (PubChem CID 174891362) has the molecular formula C18H14O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-hydroxy-4,5-dihydro-3H-chrysen-2-one.

Molecular Properties

Compound Name1-hydroxy-4,5-dihydro-3H-chrysen-2-one
PubChem CID174891362
Molecular FormulaC18H14O2
Molecular Weight262.31 g/mol
Exact Mass262.10
IUPAC Name1-hydroxy-4,5-dihydro-3H-chrysen-2-one
SMILESO=C1CCc2c3c(ccc2=C1O)=c1ccccc1=CC3
InChIInChI=1S/C18H14O2/c19-17-10-9-15-14-6-5-11-3-1-2-4-12(11)13(14)7-8-16(15)18(17)20/h1-5,7-8,20H,6,9-10H2
InChIKeyMQGSHLXNWUMCDG-UHFFFAOYSA-N
XLogP1.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-4,5-dihydro-3H-chrysen-2-one
CID 174750449
4,5-dihydro-3H-chrysen-2-one
CID 174363316
bis(2,3,4,5-tetrahydrochrysen-1-yl) carbonate
CID 174520106
1-(trifluoromethyl)-2,3,4,5-tetrahydrochrysene
CID 174367216
4-(2,3,4,5-tetrahydrochrysen-1-yl)benzaldehyde
CID 175242525
benzene;(2R)-2-ethyl-2,3,4,5-tetrahydrochrysene
CID 174904780
2-(2,3,4,5-tetrahydrochrysen-2-ylmethyl)benzene-1,3-dicarboxylic acid
CID 174814526
(3R)-1-fluoro-3-methyl-2,3,4,5-tetrahydrochrysene
CID 174851530
2-methyl-1-(3-methylphenyl)-4,5-dihydro-2H-chrysen-3-one
CID 174688942
[2-methyl-4-(2-methylanilino)phenyl]-(2,3,4,5-tetrahydrochrysen-1-yl)methanone
CID 174326576
2-(2-chloroanilino)-N-[4-(2,3,4,5-tetrahydrochrysene-1-carbonyl)phenyl]acetamide
CID 174283271
4,4-dimethyl-3-methylsulfonyl-3,5-dihydro-2H-chrysene;pyrazine
CID 174519058

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4,5-dihydro-3H-chrysen-2-one?
The IUPAC name of 1-hydroxy-4,5-dihydro-3H-chrysen-2-one (CID 174891362) is 1-hydroxy-4,5-dihydro-3H-chrysen-2-one.
What is the SMILES notation for 1-hydroxy-4,5-dihydro-3H-chrysen-2-one?
The canonical SMILES for 1-hydroxy-4,5-dihydro-3H-chrysen-2-one is O=C1CCc2c3c(ccc2=C1O)=c1ccccc1=CC3.
What is the InChIKey of 1-hydroxy-4,5-dihydro-3H-chrysen-2-one?
The InChIKey is MQGSHLXNWUMCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O2/c19-17-10-9-15-14-6-5-11-3-1-2-4-12(11)13(14)7-8-16(15)18(17)20/h1-5,7-8,20H,6,9-10H2.
What are the key properties of 1-hydroxy-4,5-dihydro-3H-chrysen-2-one?
1-hydroxy-4,5-dihydro-3H-chrysen-2-one has a molecular weight of 262.31 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4,5-dihydro-3H-chrysen-2-one is sourced from PubChem (CID 174891362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).