4-(hydroxymethyl)-2-methoxyphenol;3-methyl-1-(3-methylbutoxy)butane

C18H32O4 — CID 66731296

IUPAC4-(hydroxymethyl)-2-methoxyphenol;3-methyl-1-(3-methylbutoxy)butane
SMILESCC(C)CCOCCC(C)C.COc1cc(CO)ccc1O
InChIInChI=1S/C10H22O.C8H10O3/c1-9(2)5-7-11-8-6-10(3)4;1-11-8-4-6(5-9)2-3-7(8)10/h9-10H,5-8H2,1-4H3;2-4,9-10H,5H2,1H3
InChIKeyAGZZEHQMUJMONA-UHFFFAOYSA-N
MW312.45 g/mol
LogP3.99
Rot. Bonds8

About 4-(hydroxymethyl)-2-methoxyphenol;3-methyl-1-(3-methylbutoxy)butane

4-(hydroxymethyl)-2-methoxyphenol;3-methyl-1-(3-methylbutoxy)butane (PubChem CID 66731296) has the molecular formula C18H32O4 and a molecular weight of 312.45 g/mol. Its IUPAC name is 4-(hydroxymethyl)-2-methoxyphenol;3-methyl-1-(3-methylbutoxy)butane.

Molecular Properties

Compound Name4-(hydroxymethyl)-2-methoxyphenol;3-methyl-1-(3-methylbutoxy)butane
PubChem CID66731296
Molecular FormulaC18H32O4
Molecular Weight312.45 g/mol
Exact Mass312.23
IUPAC Name4-(hydroxymethyl)-2-methoxyphenol;3-methyl-1-(3-methylbutoxy)butane
SMILESCC(C)CCOCCC(C)C.COc1cc(CO)ccc1O
InChIInChI=1S/C10H22O.C8H10O3/c1-9(2)5-7-11-8-6-10(3)4;1-11-8-4-6(5-9)2-3-7(8)10/h9-10H,5-8H2,1-4H3;2-4,9-10H,5H2,1H3
InChIKeyAGZZEHQMUJMONA-UHFFFAOYSA-N
XLogP3.99
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(hydroxymethyl)-2-methoxyphenol;1-propoxypropane
CID 66600810
[4-methoxy-3-[2-(3-methylbutoxy)ethoxy]phenyl]methanol
CID 61484214
4-(hydroxymethyl)-2-methoxyphenol;1-pentoxypentane
CID 71151145
1-butoxybutane;4-(hydroxymethyl)-2-methoxyphenol;phosphoric acid
CID 69028004
acetic acid;butane-2,3-dione;4-(hydroxymethyl)-2-methoxyphenol
CID 175343442
butanedioic acid;4-(hydroxymethyl)-2-methoxyphenol
CID 174397560
4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol
CID 22599015
4-[3-(2-hydroxyethoxy)propyl]-2-methoxyphenol
CID 11356573
4-(hydroxymethyl)-2-methoxyphenol;bis(2-methylprop-2-enoic acid)
CID 118541193
4-(hydroxymethyl)-2-methoxyphenol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 175343133
4-(2-iodopropyl)-2-methoxyphenol
CID 89111818
4-(3-aminobutyl)-2-methoxyphenol chloride
CID 45108613

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-2-methoxyphenol;3-methyl-1-(3-methylbutoxy)butane?
The IUPAC name of 4-(hydroxymethyl)-2-methoxyphenol;3-methyl-1-(3-methylbutoxy)butane (CID 66731296) is 4-(hydroxymethyl)-2-methoxyphenol;3-methyl-1-(3-methylbutoxy)butane.
What is the SMILES notation for 4-(hydroxymethyl)-2-methoxyphenol;3-methyl-1-(3-methylbutoxy)butane?
The canonical SMILES for 4-(hydroxymethyl)-2-methoxyphenol;3-methyl-1-(3-methylbutoxy)butane is CC(C)CCOCCC(C)C.COc1cc(CO)ccc1O.
What is the InChIKey of 4-(hydroxymethyl)-2-methoxyphenol;3-methyl-1-(3-methylbutoxy)butane?
The InChIKey is AGZZEHQMUJMONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O.C8H10O3/c1-9(2)5-7-11-8-6-10(3)4;1-11-8-4-6(5-9)2-3-7(8)10/h9-10H,5-8H2,1-4H3;2-4,9-10H,5H2,1H3.
What are the key properties of 4-(hydroxymethyl)-2-methoxyphenol;3-methyl-1-(3-methylbutoxy)butane?
4-(hydroxymethyl)-2-methoxyphenol;3-methyl-1-(3-methylbutoxy)butane has a molecular weight of 312.45 g/mol, XLogP of 3.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-2-methoxyphenol;3-methyl-1-(3-methylbutoxy)butane is sourced from PubChem (CID 66731296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).