ethyl 10-(4-methoxyphenyl)decanoate

C19H30O3 — CID 134946560

IUPACethyl 10-(4-methoxyphenyl)decanoate
SMILESCCOC(=O)CCCCCCCCCc1ccc(OC)cc1
InChIInChI=1S/C19H30O3/c1-3-22-19(20)12-10-8-6-4-5-7-9-11-17-13-15-18(21-2)16-14-17/h13-16H,3-12H2,1-2H3
InChIKeyOGFUMTYGXNVKND-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.92
Rot. Bonds12

About ethyl 10-(4-methoxyphenyl)decanoate

ethyl 10-(4-methoxyphenyl)decanoate (PubChem CID 134946560) has the molecular formula C19H30O3 and a molecular weight of 306.45 g/mol. Its IUPAC name is ethyl 10-(4-methoxyphenyl)decanoate.

Molecular Properties

Compound Nameethyl 10-(4-methoxyphenyl)decanoate
PubChem CID134946560
Molecular FormulaC19H30O3
Molecular Weight306.45 g/mol
Exact Mass306.22
IUPAC Nameethyl 10-(4-methoxyphenyl)decanoate
SMILESCCOC(=O)CCCCCCCCCc1ccc(OC)cc1
InChIInChI=1S/C19H30O3/c1-3-22-19(20)12-10-8-6-4-5-7-9-11-17-13-15-18(21-2)16-14-17/h13-16H,3-12H2,1-2H3
InChIKeyOGFUMTYGXNVKND-UHFFFAOYSA-N
XLogP4.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-(3,5-dimethoxyphenyl)pentanoate
CID 66889380
ethyl 13-(4-bromophenyl)tridecanoate
CID 134946562
ethyl 5-(4-phenoxyphenyl)pentanoate
CID 10494313
5-(4-methoxyphenyl)pentanamide
CID 134389506
ethyl 6-[4-(methylsulfanylmethyl)phenyl]hexanoate
CID 143472880
ethyl 5-(4-prop-2-enoxyphenyl)pentanoate
CID 159399801
5-(4-methoxyphenyl)pentanehydrazide
CID 59015987
ethyl 6-[4-(trifluoromethyl)phenyl]hexanoate
CID 11737774
ethyl 5-(3,4-dimethoxyphenyl)pentanoate
CID 15833333
ethyl 7-(4-methoxyphenyl)-6,6-dimethylheptanoate
CID 23072391
ethyl 4-(4-methylphenyl)butanoate
CID 10013221
ethyl 4-(4-hydroxyphenyl)butanoate
CID 11333255

Frequently Asked Questions

What is the IUPAC name of ethyl 10-(4-methoxyphenyl)decanoate?
The IUPAC name of ethyl 10-(4-methoxyphenyl)decanoate (CID 134946560) is ethyl 10-(4-methoxyphenyl)decanoate.
What is the SMILES notation for ethyl 10-(4-methoxyphenyl)decanoate?
The canonical SMILES for ethyl 10-(4-methoxyphenyl)decanoate is CCOC(=O)CCCCCCCCCc1ccc(OC)cc1.
What is the InChIKey of ethyl 10-(4-methoxyphenyl)decanoate?
The InChIKey is OGFUMTYGXNVKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O3/c1-3-22-19(20)12-10-8-6-4-5-7-9-11-17-13-15-18(21-2)16-14-17/h13-16H,3-12H2,1-2H3.
What are the key properties of ethyl 10-(4-methoxyphenyl)decanoate?
ethyl 10-(4-methoxyphenyl)decanoate has a molecular weight of 306.45 g/mol, XLogP of 4.92, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 10-(4-methoxyphenyl)decanoate is sourced from PubChem (CID 134946560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).