4-hydroxy-3-methoxy-8-methyl-10-phenyldec-6-enoic acid

C18H26O4 — CID 67565383

IUPAC4-hydroxy-3-methoxy-8-methyl-10-phenyldec-6-enoic acid
SMILESCOC(CC(=O)O)C(O)CC=CC(C)CCc1ccccc1
InChIInChI=1S/C18H26O4/c1-14(11-12-15-8-4-3-5-9-15)7-6-10-16(19)17(22-2)13-18(20)21/h3-9,14,16-17,19H,10-13H2,1-2H3,(H,20,21)
InChIKeyYIZPJRMDGOUABI-UHFFFAOYSA-N
MW306.40 g/mol
LogP3.05
Rot. Bonds10

About 4-hydroxy-3-methoxy-8-methyl-10-phenyldec-6-enoic acid

4-hydroxy-3-methoxy-8-methyl-10-phenyldec-6-enoic acid (PubChem CID 67565383) has the molecular formula C18H26O4 and a molecular weight of 306.40 g/mol. Its IUPAC name is 4-hydroxy-3-methoxy-8-methyl-10-phenyldec-6-enoic acid.

Molecular Properties

Compound Name4-hydroxy-3-methoxy-8-methyl-10-phenyldec-6-enoic acid
PubChem CID67565383
Molecular FormulaC18H26O4
Molecular Weight306.40 g/mol
Exact Mass306.18
IUPAC Name4-hydroxy-3-methoxy-8-methyl-10-phenyldec-6-enoic acid
SMILESCOC(CC(=O)O)C(O)CC=CC(C)CCc1ccccc1
InChIInChI=1S/C18H26O4/c1-14(11-12-15-8-4-3-5-9-15)7-6-10-16(19)17(22-2)13-18(20)21/h3-9,14,16-17,19H,10-13H2,1-2H3,(H,20,21)
InChIKeyYIZPJRMDGOUABI-UHFFFAOYSA-N
XLogP3.05
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-6-phenylhex-2-enoic acid
CID 70467961
[3-methyl-5-(3-methyl-5-phenylpent-1-enoxy)pent-4-enyl]benzene
CID 67234615
(3R)-3-methoxycarbonyl-5-phenylpentanoic acid
CID 18652850
methyl N-[(2S)-4-phenylbutan-2-yl]carbamate
CID 888027
3-(1-phenylhex-5-en-3-yloxy)butanoic acid
CID 562330
methyl (3S)-3-hydroxy-5-phenylpentanoate
CID 11745842
10-methyl-15-phenylpentadec-8-enoic acid
CID 70475145
(E,3R,4S)-4,7-dimethyl-1-phenyloct-5-en-3-ol
CID 71658091
methyl (2R)-2-hydroxy-4-phenylbutanoate
CID 10878023
methyl (2S)-2-[[(2R)-2-hydroxy-4-phenylbutanoyl]amino]propanoate
CID 101200785
(2-methyl-4-phenylbutylidene)-phosphanylphosphane
CID 89156817
3-oxo-3-(4-phenylbutan-2-ylamino)propanoic acid
CID 55049062

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methoxy-8-methyl-10-phenyldec-6-enoic acid?
The IUPAC name of 4-hydroxy-3-methoxy-8-methyl-10-phenyldec-6-enoic acid (CID 67565383) is 4-hydroxy-3-methoxy-8-methyl-10-phenyldec-6-enoic acid.
What is the SMILES notation for 4-hydroxy-3-methoxy-8-methyl-10-phenyldec-6-enoic acid?
The canonical SMILES for 4-hydroxy-3-methoxy-8-methyl-10-phenyldec-6-enoic acid is COC(CC(=O)O)C(O)CC=CC(C)CCc1ccccc1.
What is the InChIKey of 4-hydroxy-3-methoxy-8-methyl-10-phenyldec-6-enoic acid?
The InChIKey is YIZPJRMDGOUABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O4/c1-14(11-12-15-8-4-3-5-9-15)7-6-10-16(19)17(22-2)13-18(20)21/h3-9,14,16-17,19H,10-13H2,1-2H3,(H,20,21).
What are the key properties of 4-hydroxy-3-methoxy-8-methyl-10-phenyldec-6-enoic acid?
4-hydroxy-3-methoxy-8-methyl-10-phenyldec-6-enoic acid has a molecular weight of 306.40 g/mol, XLogP of 3.05, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methoxy-8-methyl-10-phenyldec-6-enoic acid is sourced from PubChem (CID 67565383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).