[3-(butoxymethyl)phenyl]-(2,4-dimethoxyphenyl)methanol

C20H26O4 — CID 140923039

IUPAC[3-(butoxymethyl)phenyl]-(2,4-dimethoxyphenyl)methanol
SMILESCCCCOCc1cccc(C(O)c2ccc(OC)cc2OC)c1
InChIInChI=1S/C20H26O4/c1-4-5-11-24-14-15-7-6-8-16(12-15)20(21)18-10-9-17(22-2)13-19(18)23-3/h6-10,12-13,20-21H,4-5,11,14H2,1-3H3
InChIKeyXEGHGHDMCPXAGW-UHFFFAOYSA-N
MW330.42 g/mol
LogP4.10
Rot. Bonds9

About [3-(butoxymethyl)phenyl]-(2,4-dimethoxyphenyl)methanol

[3-(butoxymethyl)phenyl]-(2,4-dimethoxyphenyl)methanol (PubChem CID 140923039) has the molecular formula C20H26O4 and a molecular weight of 330.42 g/mol. Its IUPAC name is [3-(butoxymethyl)phenyl]-(2,4-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name[3-(butoxymethyl)phenyl]-(2,4-dimethoxyphenyl)methanol
PubChem CID140923039
Molecular FormulaC20H26O4
Molecular Weight330.42 g/mol
Exact Mass330.18
IUPAC Name[3-(butoxymethyl)phenyl]-(2,4-dimethoxyphenyl)methanol
SMILESCCCCOCc1cccc(C(O)c2ccc(OC)cc2OC)c1
InChIInChI=1S/C20H26O4/c1-4-5-11-24-14-15-7-6-8-16(12-15)20(21)18-10-9-17(22-2)13-19(18)23-3/h6-10,12-13,20-21H,4-5,11,14H2,1-3H3
InChIKeyXEGHGHDMCPXAGW-UHFFFAOYSA-N
XLogP4.10
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 54.10
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

(2,4-dimethoxyphenyl)-(4-propylphenyl)methanol
CID 61087943
(4-methoxyphenyl)-(3-propylphenyl)methanol
CID 116542361
2-(2-butoxyethoxy)-1-(2,4-dimethoxyphenyl)ethanamine
CID 43127564
(2-methoxy-4-methylphenyl)-[3-(2-methylpropyl)phenyl]methanol
CID 106790968
(2-methoxyphenyl)-(3-propoxyphenyl)methanol
CID 63894602
1-(2,4-dimethoxyphenyl)-3-propoxypropan-1-ol
CID 105095984
(2-ethoxyphenyl)-(3-methoxyphenyl)methanol
CID 62801888
4-(butoxymethyl)-2-methoxyphenol;hydrochloride
CID 175330129
(2,4-dimethoxyphenyl)-(4-fluoro-3-methylphenyl)methanol
CID 62802132
4-(2-butoxyethoxymethyl)-2-methoxyphenol
CID 139805513
(4-bromo-3,5-dimethylphenyl)-(2,4-dimethoxyphenyl)methanol
CID 114329901
(2,5-dimethoxyphenyl)-(3-methylphenyl)methanol
CID 61099011

Frequently Asked Questions

What is the IUPAC name of [3-(butoxymethyl)phenyl]-(2,4-dimethoxyphenyl)methanol?
The IUPAC name of [3-(butoxymethyl)phenyl]-(2,4-dimethoxyphenyl)methanol (CID 140923039) is [3-(butoxymethyl)phenyl]-(2,4-dimethoxyphenyl)methanol.
What is the SMILES notation for [3-(butoxymethyl)phenyl]-(2,4-dimethoxyphenyl)methanol?
The canonical SMILES for [3-(butoxymethyl)phenyl]-(2,4-dimethoxyphenyl)methanol is CCCCOCc1cccc(C(O)c2ccc(OC)cc2OC)c1.
What is the InChIKey of [3-(butoxymethyl)phenyl]-(2,4-dimethoxyphenyl)methanol?
The InChIKey is XEGHGHDMCPXAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O4/c1-4-5-11-24-14-15-7-6-8-16(12-15)20(21)18-10-9-17(22-2)13-19(18)23-3/h6-10,12-13,20-21H,4-5,11,14H2,1-3H3.
What are the key properties of [3-(butoxymethyl)phenyl]-(2,4-dimethoxyphenyl)methanol?
[3-(butoxymethyl)phenyl]-(2,4-dimethoxyphenyl)methanol has a molecular weight of 330.42 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(butoxymethyl)phenyl]-(2,4-dimethoxyphenyl)methanol is sourced from PubChem (CID 140923039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).