4-(5-ethyl-2-hydroxyphenyl)-6-hex-5-ynyl-2,3-dimethoxyphenol

C22H26O4 — CID 134242006

IUPAC4-(5-ethyl-2-hydroxyphenyl)-6-hex-5-ynyl-2,3-dimethoxyphenol
SMILESC#CCCCCc1cc(-c2cc(CC)ccc2O)c(OC)c(OC)c1O
InChIInChI=1S/C22H26O4/c1-5-7-8-9-10-16-14-18(21(25-3)22(26-4)20(16)24)17-13-15(6-2)11-12-19(17)23/h1,11-14,23-24H,6-10H2,2-4H3
InChIKeySUXLAXZOBQMCMZ-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.69
Rot. Bonds8

About 4-(5-ethyl-2-hydroxyphenyl)-6-hex-5-ynyl-2,3-dimethoxyphenol

4-(5-ethyl-2-hydroxyphenyl)-6-hex-5-ynyl-2,3-dimethoxyphenol (PubChem CID 134242006) has the molecular formula C22H26O4 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-(5-ethyl-2-hydroxyphenyl)-6-hex-5-ynyl-2,3-dimethoxyphenol.

Molecular Properties

Compound Name4-(5-ethyl-2-hydroxyphenyl)-6-hex-5-ynyl-2,3-dimethoxyphenol
PubChem CID134242006
Molecular FormulaC22H26O4
Molecular Weight354.45 g/mol
Exact Mass354.18
IUPAC Name4-(5-ethyl-2-hydroxyphenyl)-6-hex-5-ynyl-2,3-dimethoxyphenol
SMILESC#CCCCCc1cc(-c2cc(CC)ccc2O)c(OC)c(OC)c1O
InChIInChI=1S/C22H26O4/c1-5-7-8-9-10-16-14-18(21(25-3)22(26-4)20(16)24)17-13-15(6-2)11-12-19(17)23/h1,11-14,23-24H,6-10H2,2-4H3
InChIKeySUXLAXZOBQMCMZ-UHFFFAOYSA-N
XLogP4.69
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-hex-5-ynylbenzene
CID 90962288
2,4-diethyl-1-pent-4-ynylbenzene
CID 123845547
6-(3,4-dimethoxybutyl)-4-[5-(3,3-dimethoxypropyl)-2-hydroxyphenyl]-2,3-dimethoxyphenol
CID 126704374
4-hex-5-ynylphenol
CID 57017848
3-(5-ethyl-2-hydroxyphenyl)benzene-1,2-diol
CID 101303033
1-hex-5-ynyl-4-methoxy-2-methylbenzene
CID 86231947
N-[(4-hydroxy-3-methoxyphenyl)methyl]undec-10-ynamide
CID 3032050
1-decyl-4-hept-6-ynylbenzene
CID 91331883
1,3-dimethoxy-5-non-8-ynylbenzene
CID 10978220
4-(2,5-diethylphenyl)-6-ethylbenzene-1,2,3-triol
CID 101303330
4-(2,4-diethylphenyl)-6-ethylbenzene-1,3-diol
CID 101302857
4-hexyl-2-(2-hydroxyphenyl)phenol
CID 139699928

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-2-hydroxyphenyl)-6-hex-5-ynyl-2,3-dimethoxyphenol?
The IUPAC name of 4-(5-ethyl-2-hydroxyphenyl)-6-hex-5-ynyl-2,3-dimethoxyphenol (CID 134242006) is 4-(5-ethyl-2-hydroxyphenyl)-6-hex-5-ynyl-2,3-dimethoxyphenol.
What is the SMILES notation for 4-(5-ethyl-2-hydroxyphenyl)-6-hex-5-ynyl-2,3-dimethoxyphenol?
The canonical SMILES for 4-(5-ethyl-2-hydroxyphenyl)-6-hex-5-ynyl-2,3-dimethoxyphenol is C#CCCCCc1cc(-c2cc(CC)ccc2O)c(OC)c(OC)c1O.
What is the InChIKey of 4-(5-ethyl-2-hydroxyphenyl)-6-hex-5-ynyl-2,3-dimethoxyphenol?
The InChIKey is SUXLAXZOBQMCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O4/c1-5-7-8-9-10-16-14-18(21(25-3)22(26-4)20(16)24)17-13-15(6-2)11-12-19(17)23/h1,11-14,23-24H,6-10H2,2-4H3.
What are the key properties of 4-(5-ethyl-2-hydroxyphenyl)-6-hex-5-ynyl-2,3-dimethoxyphenol?
4-(5-ethyl-2-hydroxyphenyl)-6-hex-5-ynyl-2,3-dimethoxyphenol has a molecular weight of 354.45 g/mol, XLogP of 4.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-2-hydroxyphenyl)-6-hex-5-ynyl-2,3-dimethoxyphenol is sourced from PubChem (CID 134242006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).