5-hydroxy-6-naphthalen-1-yl-1-phenylhexan-3-one

C22H22O2 — CID 24881609

IUPAC5-hydroxy-6-naphthalen-1-yl-1-phenylhexan-3-one
SMILESO=C(CCc1ccccc1)CC(O)Cc1cccc2ccccc12
InChIInChI=1S/C22H22O2/c23-20(14-13-17-7-2-1-3-8-17)16-21(24)15-19-11-6-10-18-9-4-5-12-22(18)19/h1-12,21,24H,13-16H2
InChIKeyXGKWOOBUDOGJTP-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.34
Rot. Bonds7

About 5-hydroxy-6-naphthalen-1-yl-1-phenylhexan-3-one

5-hydroxy-6-naphthalen-1-yl-1-phenylhexan-3-one (PubChem CID 24881609) has the molecular formula C22H22O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 5-hydroxy-6-naphthalen-1-yl-1-phenylhexan-3-one.

Molecular Properties

Compound Name5-hydroxy-6-naphthalen-1-yl-1-phenylhexan-3-one
PubChem CID24881609
Molecular FormulaC22H22O2
Molecular Weight318.42 g/mol
Exact Mass318.16
IUPAC Name5-hydroxy-6-naphthalen-1-yl-1-phenylhexan-3-one
SMILESO=C(CCc1ccccc1)CC(O)Cc1cccc2ccccc12
InChIInChI=1S/C22H22O2/c23-20(14-13-17-7-2-1-3-8-17)16-21(24)15-19-11-6-10-18-9-4-5-12-22(18)19/h1-12,21,24H,13-16H2
InChIKeyXGKWOOBUDOGJTP-UHFFFAOYSA-N
XLogP4.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Dihydroyashabushiketol
CID 10265808
4-(3-Phenanthryl)butanoic acid
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5-Hydroxy-1,7-Diphenylheptan-3-One
CID 562075
3-[Hydroxy(naphthalen-2-yl)methyl]but-3-en-2-one
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2-[Hydroxy(naphthalen-1-yl)methyl]naphthalene-1,4-dione
CID 71652185
3-Phenanthreneacetic acid
CID 158632
(1-Phenylnaphthalen-2-yl)acetic acid
CID 263295
2,5-Dihydroxy-3-naphthalen-1-yl-6-phenylcyclohexa-2,5-diene-1,4-dione
CID 10736056
5-Hydroxy-1,6-diphenylhexan-3-one
CID 44585756
3-Hydroxy-1-(naphthalen-2-yl)-3-phenylpropan-1-one
CID 73097442
(4aS,10aR)-7-(1-hydroxypropan-2-yl)-1,1,4a-trimethyl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one
CID 71726322
(R)-5-Hydroxy-1,7-Diphenylheptan-3-One
CID 46213118

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-naphthalen-1-yl-1-phenylhexan-3-one?
The IUPAC name of 5-hydroxy-6-naphthalen-1-yl-1-phenylhexan-3-one (CID 24881609) is 5-hydroxy-6-naphthalen-1-yl-1-phenylhexan-3-one.
What is the SMILES notation for 5-hydroxy-6-naphthalen-1-yl-1-phenylhexan-3-one?
The canonical SMILES for 5-hydroxy-6-naphthalen-1-yl-1-phenylhexan-3-one is O=C(CCc1ccccc1)CC(O)Cc1cccc2ccccc12.
What is the InChIKey of 5-hydroxy-6-naphthalen-1-yl-1-phenylhexan-3-one?
The InChIKey is XGKWOOBUDOGJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O2/c23-20(14-13-17-7-2-1-3-8-17)16-21(24)15-19-11-6-10-18-9-4-5-12-22(18)19/h1-12,21,24H,13-16H2.
What are the key properties of 5-hydroxy-6-naphthalen-1-yl-1-phenylhexan-3-one?
5-hydroxy-6-naphthalen-1-yl-1-phenylhexan-3-one has a molecular weight of 318.42 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-naphthalen-1-yl-1-phenylhexan-3-one is sourced from PubChem (CID 24881609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).