4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol;nonanoic acid

C25H36O7 — CID 155414838

IUPAC4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol;nonanoic acid
SMILESCCCCCCCCC(=O)O.COc1cc(COCc2ccc(O)c(OC)c2)ccc1O
InChIInChI=1S/C16H18O5.C9H18O2/c1-19-15-7-11(3-5-13(15)17)9-21-10-12-4-6-14(18)16(8-12)20-2;1-2-3-4-5-6-7-8-9(10)11/h3-8,17-18H,9-10H2,1-2H3;2-8H2,1H3,(H,10,11)
InChIKeyOCHNDYCJABVDGT-UHFFFAOYSA-N
MW448.56 g/mol
LogP5.65
Rot. Bonds13

About 4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol;nonanoic acid

4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol;nonanoic acid (PubChem CID 155414838) has the molecular formula C25H36O7 and a molecular weight of 448.56 g/mol. Its IUPAC name is 4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol;nonanoic acid.

Molecular Properties

Compound Name4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol;nonanoic acid
PubChem CID155414838
Molecular FormulaC25H36O7
Molecular Weight448.56 g/mol
Exact Mass448.25
IUPAC Name4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol;nonanoic acid
SMILESCCCCCCCCC(=O)O.COc1cc(COCc2ccc(O)c(OC)c2)ccc1O
InChIInChI=1S/C16H18O5.C9H18O2/c1-19-15-7-11(3-5-13(15)17)9-21-10-12-4-6-14(18)16(8-12)20-2;1-2-3-4-5-6-7-8-9(10)11/h3-8,17-18H,9-10H2,1-2H3;2-8H2,1H3,(H,10,11)
InChIKeyOCHNDYCJABVDGT-UHFFFAOYSA-N
XLogP5.65
TPSA105.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.56
LogP ≤ 55.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-methoxy-4-(tetradecoxymethyl)phenol
CID 15468909
8-(4-hydroxy-3-methoxyphenyl)octanoic acid
CID 25005890
ethoxyethane;(4-hydroxy-3-methoxyphenyl)methyl nonanoate
CID 155414836
4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol
CID 22599015
4-(butoxymethyl)-2-methoxyphenol;hydrochloride
CID 175330129
N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide
CID 2998
4-(2-butoxyethoxymethyl)-2-methoxyphenol
CID 139805513
4-(butoxymethyl)-2-methoxyphenol;ethanol
CID 66730782
2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one
CID 11989921
2-(4-hydroxy-3-methoxyphenyl)ethyl octacosanoate
CID 101421508

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol;nonanoic acid?
The IUPAC name of 4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol;nonanoic acid (CID 155414838) is 4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol;nonanoic acid.
What is the SMILES notation for 4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol;nonanoic acid?
The canonical SMILES for 4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol;nonanoic acid is CCCCCCCCC(=O)O.COc1cc(COCc2ccc(O)c(OC)c2)ccc1O.
What is the InChIKey of 4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol;nonanoic acid?
The InChIKey is OCHNDYCJABVDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O5.C9H18O2/c1-19-15-7-11(3-5-13(15)17)9-21-10-12-4-6-14(18)16(8-12)20-2;1-2-3-4-5-6-7-8-9(10)11/h3-8,17-18H,9-10H2,1-2H3;2-8H2,1H3,(H,10,11).
What are the key properties of 4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol;nonanoic acid?
4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol;nonanoic acid has a molecular weight of 448.56 g/mol, XLogP of 5.65, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol;nonanoic acid is sourced from PubChem (CID 155414838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).