4-hexoxy-3,5-dimethoxyphenol

C14H22O4 — CID 10244041

IUPAC4-hexoxy-3,5-dimethoxyphenol
SMILESCCCCCCOc1c(OC)cc(O)cc1OC
InChIInChI=1S/C14H22O4/c1-4-5-6-7-8-18-14-12(16-2)9-11(15)10-13(14)17-3/h9-10,15H,4-8H2,1-3H3
InChIKeyFDMDCPXIINRZQG-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.37
Rot. Bonds8

About 4-hexoxy-3,5-dimethoxyphenol

4-hexoxy-3,5-dimethoxyphenol (PubChem CID 10244041) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-hexoxy-3,5-dimethoxyphenol.

Molecular Properties

Compound Name4-hexoxy-3,5-dimethoxyphenol
PubChem CID10244041
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name4-hexoxy-3,5-dimethoxyphenol
SMILESCCCCCCOc1c(OC)cc(O)cc1OC
InChIInChI=1S/C14H22O4/c1-4-5-6-7-8-18-14-12(16-2)9-11(15)10-13(14)17-3/h9-10,15H,4-8H2,1-3H3
InChIKeyFDMDCPXIINRZQG-UHFFFAOYSA-N
XLogP3.37
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.37
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

2-hexoxy-1,3,5-trimethoxybenzene
CID 54146903
(4-heptoxy-3,5-dimethoxyphenyl)methanol
CID 43516772
3,5-dimethoxy-4-octadecoxybenzoic acid
CID 70585475
4-hexoxy-3,5-dimethoxybenzoic acid
CID 10265785
2-(4-hexoxy-3,5-dimethoxyphenyl)acetic acid
CID 143268084
5-[(E)-2-(3,4,5-trihexoxyphenyl)ethenyl]benzene-1,3-diol
CID 10815635
3-(4-decoxy-3,5-dimethoxyphenyl)prop-2-enoic acid
CID 85358629
2,7-dimethoxy-3,6,10,11-tetrapentoxytriphenylene
CID 10054806
2-dodecoxy-1-methoxy-3-propoxybenzene
CID 142743634
5-(hexoxymethyl)-1,2,3-trimethoxybenzene
CID 54336542
4-butoxy-3,5-dimethoxybenzamide
CID 3027029
3-chloro-4-hexoxy-5-methoxybenzoyl chloride
CID 10063669

Frequently Asked Questions

What is the IUPAC name of 4-hexoxy-3,5-dimethoxyphenol?
The IUPAC name of 4-hexoxy-3,5-dimethoxyphenol (CID 10244041) is 4-hexoxy-3,5-dimethoxyphenol.
What is the SMILES notation for 4-hexoxy-3,5-dimethoxyphenol?
The canonical SMILES for 4-hexoxy-3,5-dimethoxyphenol is CCCCCCOc1c(OC)cc(O)cc1OC.
What is the InChIKey of 4-hexoxy-3,5-dimethoxyphenol?
The InChIKey is FDMDCPXIINRZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-4-5-6-7-8-18-14-12(16-2)9-11(15)10-13(14)17-3/h9-10,15H,4-8H2,1-3H3.
What are the key properties of 4-hexoxy-3,5-dimethoxyphenol?
4-hexoxy-3,5-dimethoxyphenol has a molecular weight of 254.33 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxy-3,5-dimethoxyphenol is sourced from PubChem (CID 10244041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).