9-hydroxy-10-(4-methoxyphenyl)decan-5-one

C17H26O3 — CID 101095744

IUPAC9-hydroxy-10-(4-methoxyphenyl)decan-5-one
SMILESCCCCC(=O)CCCC(O)Cc1ccc(OC)cc1
InChIInChI=1S/C17H26O3/c1-3-4-6-15(18)7-5-8-16(19)13-14-9-11-17(20-2)12-10-14/h9-12,16,19H,3-8,13H2,1-2H3
InChIKeyQKMFNDIJSUVEPY-UHFFFAOYSA-N
MW278.39 g/mol
LogP3.53
Rot. Bonds10

About 9-hydroxy-10-(4-methoxyphenyl)decan-5-one

9-hydroxy-10-(4-methoxyphenyl)decan-5-one (PubChem CID 101095744) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is 9-hydroxy-10-(4-methoxyphenyl)decan-5-one.

Molecular Properties

Compound Name9-hydroxy-10-(4-methoxyphenyl)decan-5-one
PubChem CID101095744
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name9-hydroxy-10-(4-methoxyphenyl)decan-5-one
SMILESCCCCC(=O)CCCC(O)Cc1ccc(OC)cc1
InChIInChI=1S/C17H26O3/c1-3-4-6-15(18)7-5-8-16(19)13-14-9-11-17(20-2)12-10-14/h9-12,16,19H,3-8,13H2,1-2H3
InChIKeyQKMFNDIJSUVEPY-UHFFFAOYSA-N
XLogP3.53
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-hydroxy-10-(4-methoxyphenyl)decan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methoxyphenyl)hexan-2-ol
CID 62608607
1-(4-methoxyphenyl)nonan-2-ol
CID 62608606
10-(3,4-dimethoxyphenyl)-9-hydroxydecan-5-one
CID 101095743
1-(4-methoxyphenyl)pentan-2-ol
CID 61375325
1-(4-methoxyphenyl)heptadecan-3-one
CID 91440727
1-(4-methoxyphenyl)nonan-3-one
CID 114966639
4-ethoxy-1-(4-methoxyphenyl)butan-2-ol
CID 62606919
1-(2-bromohexyl)-4-methoxybenzene
CID 63543278
1-(4-methoxyphenyl)nonan-3-ol
CID 65444716
1-(4-bromophenyl)-4-(4-methoxyphenyl)butan-2-ol
CID 63015995
1,4-dimethoxybenzene;octan-3-one
CID 174621330
3-[(4-methoxyphenyl)methyl]hexadecan-2-one
CID 70021103

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-10-(4-methoxyphenyl)decan-5-one?
The IUPAC name of 9-hydroxy-10-(4-methoxyphenyl)decan-5-one (CID 101095744) is 9-hydroxy-10-(4-methoxyphenyl)decan-5-one.
What is the SMILES notation for 9-hydroxy-10-(4-methoxyphenyl)decan-5-one?
The canonical SMILES for 9-hydroxy-10-(4-methoxyphenyl)decan-5-one is CCCCC(=O)CCCC(O)Cc1ccc(OC)cc1.
What is the InChIKey of 9-hydroxy-10-(4-methoxyphenyl)decan-5-one?
The InChIKey is QKMFNDIJSUVEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-3-4-6-15(18)7-5-8-16(19)13-14-9-11-17(20-2)12-10-14/h9-12,16,19H,3-8,13H2,1-2H3.
What are the key properties of 9-hydroxy-10-(4-methoxyphenyl)decan-5-one?
9-hydroxy-10-(4-methoxyphenyl)decan-5-one has a molecular weight of 278.39 g/mol, XLogP of 3.53, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-10-(4-methoxyphenyl)decan-5-one is sourced from PubChem (CID 101095744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).