1-(3-hydroxyphenyl)-12-phenyldodecan-2-one

C24H32O2 — CID 86118623

IUPAC1-(3-hydroxyphenyl)-12-phenyldodecan-2-one
SMILESO=C(CCCCCCCCCCc1ccccc1)Cc1cccc(O)c1
InChIInChI=1S/C24H32O2/c25-23(19-22-16-12-18-24(26)20-22)17-11-6-4-2-1-3-5-8-13-21-14-9-7-10-15-21/h7,9-10,12,14-16,18,20,26H,1-6,8,11,13,17,19H2
InChIKeyLCYNZRULCCYCOQ-UHFFFAOYSA-N
MW352.52 g/mol
LogP6.26
Rot. Bonds13

About 1-(3-hydroxyphenyl)-12-phenyldodecan-2-one

1-(3-hydroxyphenyl)-12-phenyldodecan-2-one (PubChem CID 86118623) has the molecular formula C24H32O2 and a molecular weight of 352.52 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-12-phenyldodecan-2-one.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-12-phenyldodecan-2-one
PubChem CID86118623
Molecular FormulaC24H32O2
Molecular Weight352.52 g/mol
Exact Mass352.24
IUPAC Name1-(3-hydroxyphenyl)-12-phenyldodecan-2-one
SMILESO=C(CCCCCCCCCCc1ccccc1)Cc1cccc(O)c1
InChIInChI=1S/C24H32O2/c25-23(19-22-16-12-18-24(26)20-22)17-11-6-4-2-1-3-5-8-13-21-14-9-7-10-15-21/h7,9-10,12,14-16,18,20,26H,1-6,8,11,13,17,19H2
InChIKeyLCYNZRULCCYCOQ-UHFFFAOYSA-N
XLogP6.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.52
LogP ≤ 56.26
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

1,9-diphenylnonan-5-one
CID 23467830
3-[12-(3-hydroxyphenyl)dodecyl]phenol
CID 169297924
3-(3-hydroxyphenyl)propanoic acid;3-phenylpropanoic acid
CID 175603484
8-oxo-9-phenylnonanoic acid
CID 58119944
15-phenylpentadecanoic acid
CID 2737151
5-(12-phenyldodecyl)benzene-1,3-diol
CID 44575635
13-phenyltridecane-2,4-dione
CID 19792481
1-phenylheptadecan-2-one
CID 12920609
1-phenyldecane-2,9-dione
CID 146832793
5-(4-bromophenyl)-1-phenylpentan-2-one
CID 157218581
1-(4-fluorophenyl)-5-phenylpentan-2-one
CID 61079516
2-methyl-9-phenylnonan-3-one
CID 58366233

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-12-phenyldodecan-2-one?
The IUPAC name of 1-(3-hydroxyphenyl)-12-phenyldodecan-2-one (CID 86118623) is 1-(3-hydroxyphenyl)-12-phenyldodecan-2-one.
What is the SMILES notation for 1-(3-hydroxyphenyl)-12-phenyldodecan-2-one?
The canonical SMILES for 1-(3-hydroxyphenyl)-12-phenyldodecan-2-one is O=C(CCCCCCCCCCc1ccccc1)Cc1cccc(O)c1.
What is the InChIKey of 1-(3-hydroxyphenyl)-12-phenyldodecan-2-one?
The InChIKey is LCYNZRULCCYCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O2/c25-23(19-22-16-12-18-24(26)20-22)17-11-6-4-2-1-3-5-8-13-21-14-9-7-10-15-21/h7,9-10,12,14-16,18,20,26H,1-6,8,11,13,17,19H2.
What are the key properties of 1-(3-hydroxyphenyl)-12-phenyldodecan-2-one?
1-(3-hydroxyphenyl)-12-phenyldodecan-2-one has a molecular weight of 352.52 g/mol, XLogP of 6.26, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-12-phenyldodecan-2-one is sourced from PubChem (CID 86118623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).