(9-hydroxy-1-phenylnonan-3-yl) acetate

C17H26O3 — CID 10850236

IUPAC(9-hydroxy-1-phenylnonan-3-yl) acetate
SMILESCC(=O)OC(CCCCCCO)CCc1ccccc1
InChIInChI=1S/C17H26O3/c1-15(19)20-17(11-7-2-3-8-14-18)13-12-16-9-5-4-6-10-16/h4-6,9-10,17-18H,2-3,7-8,11-14H2,1H3
InChIKeyKDCYLKDFYBOQLS-UHFFFAOYSA-N
MW278.39 g/mol
LogP3.49
Rot. Bonds10

About (9-hydroxy-1-phenylnonan-3-yl) acetate

(9-hydroxy-1-phenylnonan-3-yl) acetate (PubChem CID 10850236) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is (9-hydroxy-1-phenylnonan-3-yl) acetate.

Molecular Properties

Compound Name(9-hydroxy-1-phenylnonan-3-yl) acetate
PubChem CID10850236
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name(9-hydroxy-1-phenylnonan-3-yl) acetate
SMILESCC(=O)OC(CCCCCCO)CCc1ccccc1
InChIInChI=1S/C17H26O3/c1-15(19)20-17(11-7-2-3-8-14-18)13-12-16-9-5-4-6-10-16/h4-6,9-10,17-18H,2-3,7-8,11-14H2,1H3
InChIKeyKDCYLKDFYBOQLS-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (9-hydroxy-1-phenylnonan-3-yl) acetate 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

(2-acetyloxy-4-phenylbutyl) acetate
CID 15049204
8-hydroxyoctan-3-yl acetate
CID 101015615
16-hydroxyhexadecan-8-yl acetate
CID 175427631
1-phenylheptan-3-yl hydrogen carbonate
CID 67177512
13-acetyloxy-3-phenylmethoxyoctadecanoic acid
CID 101300677
(1-acetyloxy-4-phenylbutyl) acetate
CID 15889700
(1-hydroxy-8-pyridin-2-yloctan-4-yl) acetate
CID 54190402
6-acetyloxy-3-phenylmethoxyoctadecanoic acid
CID 101300663
1,7-dihydroxyheptan-3-yl benzoate
CID 174653580
13-phenyltridecan-6-yl hydrogen carbonate
CID 67181193
1-phenylpentadecan-7-yl hydrogen carbonate
CID 67178943
6-hydroxy-3-(2-phenylethyl)hexan-2-one
CID 174363911

Frequently Asked Questions

What is the IUPAC name of (9-hydroxy-1-phenylnonan-3-yl) acetate?
The IUPAC name of (9-hydroxy-1-phenylnonan-3-yl) acetate (CID 10850236) is (9-hydroxy-1-phenylnonan-3-yl) acetate.
What is the SMILES notation for (9-hydroxy-1-phenylnonan-3-yl) acetate?
The canonical SMILES for (9-hydroxy-1-phenylnonan-3-yl) acetate is CC(=O)OC(CCCCCCO)CCc1ccccc1.
What is the InChIKey of (9-hydroxy-1-phenylnonan-3-yl) acetate?
The InChIKey is KDCYLKDFYBOQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-15(19)20-17(11-7-2-3-8-14-18)13-12-16-9-5-4-6-10-16/h4-6,9-10,17-18H,2-3,7-8,11-14H2,1H3.
What are the key properties of (9-hydroxy-1-phenylnonan-3-yl) acetate?
(9-hydroxy-1-phenylnonan-3-yl) acetate has a molecular weight of 278.39 g/mol, XLogP of 3.49, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9-hydroxy-1-phenylnonan-3-yl) acetate is sourced from PubChem (CID 10850236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).