ethyl 2-[hydroxy-(4-methoxy-3-methylphenyl)methyl]butanoate

C15H22O4 — CID 62393496

IUPACethyl 2-[hydroxy-(4-methoxy-3-methylphenyl)methyl]butanoate
SMILESCCOC(=O)C(CC)C(O)c1ccc(OC)c(C)c1
InChIInChI=1S/C15H22O4/c1-5-12(15(17)19-6-2)14(16)11-7-8-13(18-4)10(3)9-11/h7-9,12,14,16H,5-6H2,1-4H3
InChIKeyCIUZMRNTQQLDKQ-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.63
Rot. Bonds6

About ethyl 2-[hydroxy-(4-methoxy-3-methylphenyl)methyl]butanoate

ethyl 2-[hydroxy-(4-methoxy-3-methylphenyl)methyl]butanoate (PubChem CID 62393496) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is ethyl 2-[hydroxy-(4-methoxy-3-methylphenyl)methyl]butanoate.

Molecular Properties

Compound Nameethyl 2-[hydroxy-(4-methoxy-3-methylphenyl)methyl]butanoate
PubChem CID62393496
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Nameethyl 2-[hydroxy-(4-methoxy-3-methylphenyl)methyl]butanoate
SMILESCCOC(=O)C(CC)C(O)c1ccc(OC)c(C)c1
InChIInChI=1S/C15H22O4/c1-5-12(15(17)19-6-2)14(16)11-7-8-13(18-4)10(3)9-11/h7-9,12,14,16H,5-6H2,1-4H3
InChIKeyCIUZMRNTQQLDKQ-UHFFFAOYSA-N
XLogP2.63
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(5-bromo-2-methoxyphenyl)-hydroxymethyl]butanoate
CID 55071982
ethyl 3-(3,4-dimethoxyphenyl)-2,3-dihydroxypropanoate
CID 74828202
3,4-dihydroxy-4-(4-methoxy-3-methylphenyl)butanamide
CID 171899098
1-(4-methoxy-3-methylphenyl)-2-phenylbutan-1-ol
CID 61082848
ethyl 2-(dimethylamino)-2-(4-methoxy-3-methylphenyl)acetate
CID 116914223
tert-butyl 3-hydroxy-3-(4-methoxy-3-methylphenyl)-2-methylpropanoate
CID 66338003
2-[5-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-2-methoxyphenyl]acetic acid
CID 171866985
4-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-2-methoxybenzoic acid
CID 171866710
(1S)-1-(4-methoxy-3-methylphenyl)butan-1-ol
CID 39239112
2-[[3-(difluoromethoxy)-4-methoxyphenyl]-hydroxymethyl]butanoic acid
CID 62399237
methyl 3-(4-methoxy-3-methylphenyl)-4-methylpentanoate
CID 112508803
3-amino-2-(4-methoxy-3-methylphenyl)propanoic acid
CID 22339839

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[hydroxy-(4-methoxy-3-methylphenyl)methyl]butanoate?
The IUPAC name of ethyl 2-[hydroxy-(4-methoxy-3-methylphenyl)methyl]butanoate (CID 62393496) is ethyl 2-[hydroxy-(4-methoxy-3-methylphenyl)methyl]butanoate.
What is the SMILES notation for ethyl 2-[hydroxy-(4-methoxy-3-methylphenyl)methyl]butanoate?
The canonical SMILES for ethyl 2-[hydroxy-(4-methoxy-3-methylphenyl)methyl]butanoate is CCOC(=O)C(CC)C(O)c1ccc(OC)c(C)c1.
What is the InChIKey of ethyl 2-[hydroxy-(4-methoxy-3-methylphenyl)methyl]butanoate?
The InChIKey is CIUZMRNTQQLDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-5-12(15(17)19-6-2)14(16)11-7-8-13(18-4)10(3)9-11/h7-9,12,14,16H,5-6H2,1-4H3.
What are the key properties of ethyl 2-[hydroxy-(4-methoxy-3-methylphenyl)methyl]butanoate?
ethyl 2-[hydroxy-(4-methoxy-3-methylphenyl)methyl]butanoate has a molecular weight of 266.34 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[hydroxy-(4-methoxy-3-methylphenyl)methyl]butanoate is sourced from PubChem (CID 62393496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).