ethane;6-hydroxy-1-(4-phenylphenyl)hexan-1-one

C20H26O2 — CID 142964448

IUPACethane;6-hydroxy-1-(4-phenylphenyl)hexan-1-one
SMILESCC.O=C(CCCCCO)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H20O2.C2H6/c19-14-6-2-5-9-18(20)17-12-10-16(11-13-17)15-7-3-1-4-8-15;1-2/h1,3-4,7-8,10-13,19H,2,5-6,9,14H2;1-2H3
InChIKeyQYXSMWYELFGNMB-UHFFFAOYSA-N
MW298.43 g/mol
LogP5.12
Rot. Bonds7

About ethane;6-hydroxy-1-(4-phenylphenyl)hexan-1-one

ethane;6-hydroxy-1-(4-phenylphenyl)hexan-1-one (PubChem CID 142964448) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is ethane;6-hydroxy-1-(4-phenylphenyl)hexan-1-one.

Molecular Properties

Compound Nameethane;6-hydroxy-1-(4-phenylphenyl)hexan-1-one
PubChem CID142964448
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Nameethane;6-hydroxy-1-(4-phenylphenyl)hexan-1-one
SMILESCC.O=C(CCCCCO)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H20O2.C2H6/c19-14-6-2-5-9-18(20)17-12-10-16(11-13-17)15-7-3-1-4-8-15;1-2/h1,3-4,7-8,10-13,19H,2,5-6,9,14H2;1-2H3
InChIKeyQYXSMWYELFGNMB-UHFFFAOYSA-N
XLogP5.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

12-hydroxy-1-phenyldodecan-1-one
CID 11482778
1,15-diphenylpentadecane-1,15-dione
CID 159981687
1-[4-[4-(4-hexanoylphenyl)phenyl]phenyl]hexan-1-one
CID 4202714
ethane;3-hydroxy-1-phenylpropan-1-one
CID 90864393
7-hydroxy-1-naphthalen-2-ylheptan-1-one
CID 142086733
8-hydroxy-1-naphthalen-2-yloctan-1-one
CID 23072385
ethyl 5-oxo-5-(4-phenylphenyl)pentanoate
CID 15728866
9-amino-1-(4-phenylphenyl)nonane-1,4-dione
CID 58554687
1-phenyldodecane-1,11-dione
CID 13147766
1-(4-fluorophenyl)-5-hydroxypentan-1-one
CID 58518916
1-(4-phenylphenyl)-3-sulfanylpropan-1-one
CID 116830745
1-phenyloctadecane-1,17-dione
CID 70545901

Frequently Asked Questions

What is the IUPAC name of ethane;6-hydroxy-1-(4-phenylphenyl)hexan-1-one?
The IUPAC name of ethane;6-hydroxy-1-(4-phenylphenyl)hexan-1-one (CID 142964448) is ethane;6-hydroxy-1-(4-phenylphenyl)hexan-1-one.
What is the SMILES notation for ethane;6-hydroxy-1-(4-phenylphenyl)hexan-1-one?
The canonical SMILES for ethane;6-hydroxy-1-(4-phenylphenyl)hexan-1-one is CC.O=C(CCCCCO)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of ethane;6-hydroxy-1-(4-phenylphenyl)hexan-1-one?
The InChIKey is QYXSMWYELFGNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2.C2H6/c19-14-6-2-5-9-18(20)17-12-10-16(11-13-17)15-7-3-1-4-8-15;1-2/h1,3-4,7-8,10-13,19H,2,5-6,9,14H2;1-2H3.
What are the key properties of ethane;6-hydroxy-1-(4-phenylphenyl)hexan-1-one?
ethane;6-hydroxy-1-(4-phenylphenyl)hexan-1-one has a molecular weight of 298.43 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-hydroxy-1-(4-phenylphenyl)hexan-1-one is sourced from PubChem (CID 142964448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).