2-[2-(4-methoxyphenoxy)ethoxy]ethyl 2,4-dihydroxy-6-methylbenzoate

C19H22O7 — CID 19856989

IUPAC2-[2-(4-methoxyphenoxy)ethoxy]ethyl 2,4-dihydroxy-6-methylbenzoate
SMILESCOc1ccc(OCCOCCOC(=O)c2c(C)cc(O)cc2O)cc1
InChIInChI=1S/C19H22O7/c1-13-11-14(20)12-17(21)18(13)19(22)26-10-8-24-7-9-25-16-5-3-15(23-2)4-6-16/h3-6,11-12,20-21H,7-10H2,1-2H3
InChIKeyNXRQJLTVNCPGQH-UHFFFAOYSA-N
MW362.38 g/mol
LogP2.67
Rot. Bonds9

About 2-[2-(4-methoxyphenoxy)ethoxy]ethyl 2,4-dihydroxy-6-methylbenzoate

2-[2-(4-methoxyphenoxy)ethoxy]ethyl 2,4-dihydroxy-6-methylbenzoate (PubChem CID 19856989) has the molecular formula C19H22O7 and a molecular weight of 362.38 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenoxy)ethoxy]ethyl 2,4-dihydroxy-6-methylbenzoate.

Molecular Properties

Compound Name2-[2-(4-methoxyphenoxy)ethoxy]ethyl 2,4-dihydroxy-6-methylbenzoate
PubChem CID19856989
Molecular FormulaC19H22O7
Molecular Weight362.38 g/mol
Exact Mass362.14
IUPAC Name2-[2-(4-methoxyphenoxy)ethoxy]ethyl 2,4-dihydroxy-6-methylbenzoate
SMILESCOc1ccc(OCCOCCOC(=O)c2c(C)cc(O)cc2O)cc1
InChIInChI=1S/C19H22O7/c1-13-11-14(20)12-17(21)18(13)19(22)26-10-8-24-7-9-25-16-5-3-15(23-2)4-6-16/h3-6,11-12,20-21H,7-10H2,1-2H3
InChIKeyNXRQJLTVNCPGQH-UHFFFAOYSA-N
XLogP2.67
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenoxy)ethyl 2,4-dihydroxybenzoate
CID 2647186
2,6-dihydroxy-4-[2-(4-methoxyphenoxy)ethoxy]benzoic acid;zinc
CID 67821709
ethyl 4-butoxy-2-hydroxy-6-methylbenzoate
CID 10999530
2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-methoxybenzoate
CID 154279201
2-(4-methoxyphenoxy)ethyl 5-chloro-2-hydroxybenzoate
CID 7787466
2-(2-methoxyethoxy)ethyl 6-[2-[6-[2-(2-methoxyethoxy)ethoxycarbonyl]naphthalen-2-yl]oxyethoxy]naphthalene-2-carboxylate
CID 143968517
2-(4-methoxyphenoxy)ethyl 5-aminopyridine-2-carboxylate
CID 81312356
2-(4-methoxyphenoxy)ethyl 4-acetamidobenzoate
CID 7654087
(4-ethoxycarbonyl-3-hydroxy-5-methylphenyl) 2-hydroxy-4-[(4-methoxyphenyl)methoxy]-3,6-dimethylbenzoate
CID 10648392
[3-hydroxy-4-(3-hydroxy-4-methoxycarbonyl-5-methylphenoxy)carbonyl-5-methylphenyl] 2,4-dihydroxy-6-methylbenzoate
CID 10096758
5-bromo-2-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]-1,3-dimethylbenzene
CID 2282940
(4-methoxyphenyl) 4-[2-(2-hydroxyethoxy)ethoxy]benzoate
CID 71428362

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenoxy)ethoxy]ethyl 2,4-dihydroxy-6-methylbenzoate?
The IUPAC name of 2-[2-(4-methoxyphenoxy)ethoxy]ethyl 2,4-dihydroxy-6-methylbenzoate (CID 19856989) is 2-[2-(4-methoxyphenoxy)ethoxy]ethyl 2,4-dihydroxy-6-methylbenzoate.
What is the SMILES notation for 2-[2-(4-methoxyphenoxy)ethoxy]ethyl 2,4-dihydroxy-6-methylbenzoate?
The canonical SMILES for 2-[2-(4-methoxyphenoxy)ethoxy]ethyl 2,4-dihydroxy-6-methylbenzoate is COc1ccc(OCCOCCOC(=O)c2c(C)cc(O)cc2O)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenoxy)ethoxy]ethyl 2,4-dihydroxy-6-methylbenzoate?
The InChIKey is NXRQJLTVNCPGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O7/c1-13-11-14(20)12-17(21)18(13)19(22)26-10-8-24-7-9-25-16-5-3-15(23-2)4-6-16/h3-6,11-12,20-21H,7-10H2,1-2H3.
What are the key properties of 2-[2-(4-methoxyphenoxy)ethoxy]ethyl 2,4-dihydroxy-6-methylbenzoate?
2-[2-(4-methoxyphenoxy)ethoxy]ethyl 2,4-dihydroxy-6-methylbenzoate has a molecular weight of 362.38 g/mol, XLogP of 2.67, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenoxy)ethoxy]ethyl 2,4-dihydroxy-6-methylbenzoate is sourced from PubChem (CID 19856989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).