(4-hydroxy-3-methoxyphenyl)methyl 10-methylundecanoate

C20H32O4 — CID 68603374

IUPAC(4-hydroxy-3-methoxyphenyl)methyl 10-methylundecanoate
SMILESCOc1cc(COC(=O)CCCCCCCCC(C)C)ccc1O
InChIInChI=1S/C20H32O4/c1-16(2)10-8-6-4-5-7-9-11-20(22)24-15-17-12-13-18(21)19(14-17)23-3/h12-14,16,21H,4-11,15H2,1-3H3
InChIKeyGVYIBCHMUBJSKG-UHFFFAOYSA-N
MW336.47 g/mol
LogP5.22
Rot. Bonds12

About (4-hydroxy-3-methoxyphenyl)methyl 10-methylundecanoate

(4-hydroxy-3-methoxyphenyl)methyl 10-methylundecanoate (PubChem CID 68603374) has the molecular formula C20H32O4 and a molecular weight of 336.47 g/mol. Its IUPAC name is (4-hydroxy-3-methoxyphenyl)methyl 10-methylundecanoate.

Molecular Properties

Compound Name(4-hydroxy-3-methoxyphenyl)methyl 10-methylundecanoate
PubChem CID68603374
Molecular FormulaC20H32O4
Molecular Weight336.47 g/mol
Exact Mass336.23
IUPAC Name(4-hydroxy-3-methoxyphenyl)methyl 10-methylundecanoate
SMILESCOc1cc(COC(=O)CCCCCCCCC(C)C)ccc1O
InChIInChI=1S/C20H32O4/c1-16(2)10-8-6-4-5-7-9-11-20(22)24-15-17-12-13-18(21)19(14-17)23-3/h12-14,16,21H,4-11,15H2,1-3H3
InChIKeyGVYIBCHMUBJSKG-UHFFFAOYSA-N
XLogP5.22
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.47
LogP ≤ 55.22
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 undecanoate
CID 15979965
(4-hydroxy-3-methoxyphenyl)methyl tridecanoate
CID 25120035
2-(4-hydroxy-3-methoxyphenyl)ethyl 5-methylhexanoate
CID 140538864
ethoxyethane;(4-hydroxy-3-methoxyphenyl)methyl nonanoate
CID 155414836
(3-ethoxy-4-hydroxyphenyl)methyl 7-methylnonanoate
CID 24890752
benzyl 4-hydroxy-3-methoxynonanoate;(4-hydroxy-3-methoxyphenyl)methyl nonanoate
CID 129308074
(4-hydroxy-3-methoxyphenyl)methyl 2-aminoacetate
CID 175589732
2-(4-hydroxy-3-methoxyphenyl)ethyl octacosanoate
CID 101421508
ethanol;N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide;2-methylbutane;propan-2-ol
CID 174965538
10-O-benzyl 1-O-(8-methylnonyl) decanedioate
CID 174534617
5-(4-hydroxy-3-methoxyphenyl)pentanamide
CID 66838422
(4-ethoxy-3-methoxyphenyl)methyl hexanoate
CID 78841902

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3-methoxyphenyl)methyl 10-methylundecanoate?
The IUPAC name of (4-hydroxy-3-methoxyphenyl)methyl 10-methylundecanoate (CID 68603374) is (4-hydroxy-3-methoxyphenyl)methyl 10-methylundecanoate.
What is the SMILES notation for (4-hydroxy-3-methoxyphenyl)methyl 10-methylundecanoate?
The canonical SMILES for (4-hydroxy-3-methoxyphenyl)methyl 10-methylundecanoate is COc1cc(COC(=O)CCCCCCCCC(C)C)ccc1O.
What is the InChIKey of (4-hydroxy-3-methoxyphenyl)methyl 10-methylundecanoate?
The InChIKey is GVYIBCHMUBJSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O4/c1-16(2)10-8-6-4-5-7-9-11-20(22)24-15-17-12-13-18(21)19(14-17)23-3/h12-14,16,21H,4-11,15H2,1-3H3.
What are the key properties of (4-hydroxy-3-methoxyphenyl)methyl 10-methylundecanoate?
(4-hydroxy-3-methoxyphenyl)methyl 10-methylundecanoate has a molecular weight of 336.47 g/mol, XLogP of 5.22, 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 10-methylundecanoate is sourced from PubChem (CID 68603374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).