3-[4-(2,3-dimethoxyphenyl)hexoxy]-2-propylphenol

C23H32O4 — CID 57308798

IUPAC3-[4-(2,3-dimethoxyphenyl)hexoxy]-2-propylphenol
SMILESCCCc1c(O)cccc1OCCCC(CC)c1cccc(OC)c1OC
InChIInChI=1S/C23H32O4/c1-5-10-19-20(24)13-8-14-21(19)27-16-9-11-17(6-2)18-12-7-15-22(25-3)23(18)26-4/h7-8,12-15,17,24H,5-6,9-11,16H2,1-4H3
InChIKeyUNHVLPCKQDHSTQ-UHFFFAOYSA-N
MW372.51 g/mol
LogP5.71
Rot. Bonds11

About 3-[4-(2,3-dimethoxyphenyl)hexoxy]-2-propylphenol

3-[4-(2,3-dimethoxyphenyl)hexoxy]-2-propylphenol (PubChem CID 57308798) has the molecular formula C23H32O4 and a molecular weight of 372.51 g/mol. Its IUPAC name is 3-[4-(2,3-dimethoxyphenyl)hexoxy]-2-propylphenol.

Molecular Properties

Compound Name3-[4-(2,3-dimethoxyphenyl)hexoxy]-2-propylphenol
PubChem CID57308798
Molecular FormulaC23H32O4
Molecular Weight372.51 g/mol
Exact Mass372.23
IUPAC Name3-[4-(2,3-dimethoxyphenyl)hexoxy]-2-propylphenol
SMILESCCCc1c(O)cccc1OCCCC(CC)c1cccc(OC)c1OC
InChIInChI=1S/C23H32O4/c1-5-10-19-20(24)13-8-14-21(19)27-16-9-11-17(6-2)18-12-7-15-22(25-3)23(18)26-4/h7-8,12-15,17,24H,5-6,9-11,16H2,1-4H3
InChIKeyUNHVLPCKQDHSTQ-UHFFFAOYSA-N
XLogP5.71
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 55.71
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

3-methoxy-2-propylphenol
CID 10607156
4-(3-hydroxy-2-propylphenoxy)butanoic acid
CID 67632631
2-dodecyl-3-nonan-3-ylphenol
CID 174777287
(1R)-1-(2,3-dimethoxyphenyl)octan-1-ol
CID 124562849
1,3-di(pentadecoxy)-2-propylbenzene
CID 91341779
3-hexan-3-yl-2-nonylphenol
CID 174697937
2-decyl-3-hexan-3-ylphenol
CID 174709915
5-(2-hydroxy-3-methoxyphenyl)heptan-2-one
CID 83930594
ethyl 2-(2,3-dimethoxyphenyl)-2-(ethylamino)acetate
CID 54918350
3-methoxy-2-(3-methylbutyl)phenol
CID 141105088
1-(1-fluoropropyl)-2,3-dimethoxybenzene
CID 91020266
3-amino-2-(2,3-dimethoxyphenyl)propan-1-ol
CID 12814074

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,3-dimethoxyphenyl)hexoxy]-2-propylphenol?
The IUPAC name of 3-[4-(2,3-dimethoxyphenyl)hexoxy]-2-propylphenol (CID 57308798) is 3-[4-(2,3-dimethoxyphenyl)hexoxy]-2-propylphenol.
What is the SMILES notation for 3-[4-(2,3-dimethoxyphenyl)hexoxy]-2-propylphenol?
The canonical SMILES for 3-[4-(2,3-dimethoxyphenyl)hexoxy]-2-propylphenol is CCCc1c(O)cccc1OCCCC(CC)c1cccc(OC)c1OC.
What is the InChIKey of 3-[4-(2,3-dimethoxyphenyl)hexoxy]-2-propylphenol?
The InChIKey is UNHVLPCKQDHSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O4/c1-5-10-19-20(24)13-8-14-21(19)27-16-9-11-17(6-2)18-12-7-15-22(25-3)23(18)26-4/h7-8,12-15,17,24H,5-6,9-11,16H2,1-4H3.
What are the key properties of 3-[4-(2,3-dimethoxyphenyl)hexoxy]-2-propylphenol?
3-[4-(2,3-dimethoxyphenyl)hexoxy]-2-propylphenol has a molecular weight of 372.51 g/mol, XLogP of 5.71, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,3-dimethoxyphenyl)hexoxy]-2-propylphenol is sourced from PubChem (CID 57308798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).