(4-hydroxy-3-methoxyphenyl)methyl undecanoate

C19H30O4 — CID 15979965

IUPAC(4-hydroxy-3-methoxyphenyl)methyl undecanoate
SMILESCCCCCCCCCCC(=O)OCc1ccc(O)c(OC)c1
InChIInChI=1S/C19H30O4/c1-3-4-5-6-7-8-9-10-11-19(21)23-15-16-12-13-17(20)18(14-16)22-2/h12-14,20H,3-11,15H2,1-2H3
InChIKeyCDKWGGBSPOSAKP-UHFFFAOYSA-N
MW322.44 g/mol
LogP4.97
Rot. Bonds12

About (4-hydroxy-3-methoxyphenyl)methyl undecanoate

(4-hydroxy-3-methoxyphenyl)methyl undecanoate (PubChem CID 15979965) has the molecular formula C19H30O4 and a molecular weight of 322.44 g/mol. Its IUPAC name is (4-hydroxy-3-methoxyphenyl)methyl undecanoate.

Molecular Properties

Compound Name(4-hydroxy-3-methoxyphenyl)methyl undecanoate
PubChem CID15979965
Molecular FormulaC19H30O4
Molecular Weight322.44 g/mol
Exact Mass322.21
IUPAC Name(4-hydroxy-3-methoxyphenyl)methyl undecanoate
SMILESCCCCCCCCCCC(=O)OCc1ccc(O)c(OC)c1
InChIInChI=1S/C19H30O4/c1-3-4-5-6-7-8-9-10-11-19(21)23-15-16-12-13-17(20)18(14-16)22-2/h12-14,20H,3-11,15H2,1-2H3
InChIKeyCDKWGGBSPOSAKP-UHFFFAOYSA-N
XLogP4.97
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.44
LogP ≤ 54.97
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

(4-hydroxy-3-methoxyphenyl)methyl tridecanoate
CID 25120035
ethoxyethane;(4-hydroxy-3-methoxyphenyl)methyl nonanoate
CID 155414836
2-(4-hydroxy-3-methoxyphenyl)ethyl octacosanoate
CID 101421508
(4-hydroxy-3-methoxyphenyl)methyl 10-methylundecanoate
CID 68603374
benzyl 4-hydroxy-3-methoxynonanoate;(4-hydroxy-3-methoxyphenyl)methyl nonanoate
CID 129308074
4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol;nonanoic acid
CID 155414838
(4-ethoxy-3-methoxyphenyl)methyl hexanoate
CID 78841902
(4-hydroxy-3-methoxyphenyl)methyl 2-aminoacetate
CID 175589732
N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide
CID 2998
2-methoxy-4-(tetradecoxymethyl)phenol
CID 15468909
(3-methoxyphenyl)methyl hexadecanoate
CID 23119633
2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one
CID 11989921

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3-methoxyphenyl)methyl undecanoate?
The IUPAC name of (4-hydroxy-3-methoxyphenyl)methyl undecanoate (CID 15979965) is (4-hydroxy-3-methoxyphenyl)methyl undecanoate.
What is the SMILES notation for (4-hydroxy-3-methoxyphenyl)methyl undecanoate?
The canonical SMILES for (4-hydroxy-3-methoxyphenyl)methyl undecanoate is CCCCCCCCCCC(=O)OCc1ccc(O)c(OC)c1.
What is the InChIKey of (4-hydroxy-3-methoxyphenyl)methyl undecanoate?
The InChIKey is CDKWGGBSPOSAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O4/c1-3-4-5-6-7-8-9-10-11-19(21)23-15-16-12-13-17(20)18(14-16)22-2/h12-14,20H,3-11,15H2,1-2H3.
What are the key properties of (4-hydroxy-3-methoxyphenyl)methyl undecanoate?
(4-hydroxy-3-methoxyphenyl)methyl undecanoate has a molecular weight of 322.44 g/mol, XLogP of 4.97, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3-methoxyphenyl)methyl undecanoate is sourced from PubChem (CID 15979965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).