ethyl 10-(2-hydroxy-3-methoxyphenyl)-9-methyldecanoate

C20H32O4 — CID 166812215

IUPACethyl 10-(2-hydroxy-3-methoxyphenyl)-9-methyldecanoate
SMILESCCOC(=O)CCCCCCCC(C)Cc1cccc(OC)c1O
InChIInChI=1S/C20H32O4/c1-4-24-19(21)14-9-7-5-6-8-11-16(2)15-17-12-10-13-18(23-3)20(17)22/h10,12-13,16,22H,4-9,11,14-15H2,1-3H3
InChIKeyIGMZGTDBJNWQCP-UHFFFAOYSA-N
MW336.47 g/mol
LogP4.87
Rot. Bonds12

About ethyl 10-(2-hydroxy-3-methoxyphenyl)-9-methyldecanoate

ethyl 10-(2-hydroxy-3-methoxyphenyl)-9-methyldecanoate (PubChem CID 166812215) has the molecular formula C20H32O4 and a molecular weight of 336.47 g/mol. Its IUPAC name is ethyl 10-(2-hydroxy-3-methoxyphenyl)-9-methyldecanoate.

Molecular Properties

Compound Nameethyl 10-(2-hydroxy-3-methoxyphenyl)-9-methyldecanoate
PubChem CID166812215
Molecular FormulaC20H32O4
Molecular Weight336.47 g/mol
Exact Mass336.23
IUPAC Nameethyl 10-(2-hydroxy-3-methoxyphenyl)-9-methyldecanoate
SMILESCCOC(=O)CCCCCCCC(C)Cc1cccc(OC)c1O
InChIInChI=1S/C20H32O4/c1-4-24-19(21)14-9-7-5-6-8-11-16(2)15-17-12-10-13-18(23-3)20(17)22/h10,12-13,16,22H,4-9,11,14-15H2,1-3H3
InChIKeyIGMZGTDBJNWQCP-UHFFFAOYSA-N
XLogP4.87
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 87116556
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ethyl 3-(3-methoxy-2-methylphenyl)propanoate
CID 68850412
ethyl 7,7-bis(7-methoxy-1H-indol-3-yl)heptanoate
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ethyl (3R)-3-amino-3-(2-hydroxy-3-methoxyphenyl)propanoate
CID 171212314
2-methoxy-6-(2-sulfanylpropyl)phenol
CID 137432074
ethyl 17-methyloctadecanoate
CID 122524767
ethyl 6-amino-6-(3,4-dimethoxyphenyl)hexanoate
CID 60860322
2-methoxy-6-[2-(methylamino)propyl]phenol
CID 68884486
ethyl 5-(2-ethoxyphenyl)pentanoate
CID 118039876

Frequently Asked Questions

What is the IUPAC name of ethyl 10-(2-hydroxy-3-methoxyphenyl)-9-methyldecanoate?
The IUPAC name of ethyl 10-(2-hydroxy-3-methoxyphenyl)-9-methyldecanoate (CID 166812215) is ethyl 10-(2-hydroxy-3-methoxyphenyl)-9-methyldecanoate.
What is the SMILES notation for ethyl 10-(2-hydroxy-3-methoxyphenyl)-9-methyldecanoate?
The canonical SMILES for ethyl 10-(2-hydroxy-3-methoxyphenyl)-9-methyldecanoate is CCOC(=O)CCCCCCCC(C)Cc1cccc(OC)c1O.
What is the InChIKey of ethyl 10-(2-hydroxy-3-methoxyphenyl)-9-methyldecanoate?
The InChIKey is IGMZGTDBJNWQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O4/c1-4-24-19(21)14-9-7-5-6-8-11-16(2)15-17-12-10-13-18(23-3)20(17)22/h10,12-13,16,22H,4-9,11,14-15H2,1-3H3.
What are the key properties of ethyl 10-(2-hydroxy-3-methoxyphenyl)-9-methyldecanoate?
ethyl 10-(2-hydroxy-3-methoxyphenyl)-9-methyldecanoate has a molecular weight of 336.47 g/mol, XLogP of 4.87, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 10-(2-hydroxy-3-methoxyphenyl)-9-methyldecanoate is sourced from PubChem (CID 166812215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).