1-(4-hydroxyphenyl)nonan-1-one

C30H44O4 — CID 170171737

IUPAC1-(4-hydroxyphenyl)nonan-1-one
SMILESCCCCCCCCC(=O)c1ccc(O)cc1.CCCCCCCCC(=O)c1ccc(O)cc1
InChIInChI=1S/2C15H22O2/c2*1-2-3-4-5-6-7-8-15(17)13-9-11-14(16)12-10-13/h2*9-12,16H,2-8H2,1H3
InChIKeyYQSQVFZJXJLYHT-UHFFFAOYSA-N
MW468.68 g/mol
LogP8.65
Rot. Bonds16

About 1-(4-hydroxyphenyl)nonan-1-one

1-(4-hydroxyphenyl)nonan-1-one (PubChem CID 170171737) has the molecular formula C30H44O4 and a molecular weight of 468.68 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)nonan-1-one.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)nonan-1-one
PubChem CID170171737
Molecular FormulaC30H44O4
Molecular Weight468.68 g/mol
Exact Mass468.32
IUPAC Name1-(4-hydroxyphenyl)nonan-1-one
SMILESCCCCCCCCC(=O)c1ccc(O)cc1.CCCCCCCCC(=O)c1ccc(O)cc1
InChIInChI=1S/2C15H22O2/c2*1-2-3-4-5-6-7-8-15(17)13-9-11-14(16)12-10-13/h2*9-12,16H,2-8H2,1H3
InChIKeyYQSQVFZJXJLYHT-UHFFFAOYSA-N
XLogP8.65
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.68
LogP ≤ 58.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-tetradecanoylphenyl)tetradecan-1-one
CID 59518381
(Z)-1-(4-hydroxyphenyl)octadec-9-en-1-one
CID 14228728
1-[4-[2,3,4,5,6-pentakis(4-dodecanoylphenyl)phenyl]phenyl]dodecan-1-one
CID 101036132
1-[4-[4-(4-hexanoylphenyl)phenyl]phenyl]hexan-1-one
CID 4202714
1-(6-hydroxynaphthalen-2-yl)dodecan-1-one
CID 68907241
1-(4-chlorophenyl)octadecan-1-one
CID 3660100
1-[4-[(4-octanoylphenyl)methyl]phenyl]octan-1-one
CID 139210791
1-(4-chlorophenyl)heptan-1-one
CID 12510889
1-phenylheptadecan-1-one
CID 577626
4-heptanoyl-N-(4-hydroxyphenyl)benzenesulfonamide
CID 19594335
1-[4-(4-octadecanoylphenoxy)phenyl]octadecan-1-one
CID 71345622
1-(4-propylphenyl)decan-1-one
CID 65449493

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)nonan-1-one?
The IUPAC name of 1-(4-hydroxyphenyl)nonan-1-one (CID 170171737) is 1-(4-hydroxyphenyl)nonan-1-one.
What is the SMILES notation for 1-(4-hydroxyphenyl)nonan-1-one?
The canonical SMILES for 1-(4-hydroxyphenyl)nonan-1-one is CCCCCCCCC(=O)c1ccc(O)cc1.CCCCCCCCC(=O)c1ccc(O)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)nonan-1-one?
The InChIKey is YQSQVFZJXJLYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H22O2/c2*1-2-3-4-5-6-7-8-15(17)13-9-11-14(16)12-10-13/h2*9-12,16H,2-8H2,1H3.
What are the key properties of 1-(4-hydroxyphenyl)nonan-1-one?
1-(4-hydroxyphenyl)nonan-1-one has a molecular weight of 468.68 g/mol, XLogP of 8.65, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)nonan-1-one is sourced from PubChem (CID 170171737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).