4-(butoxymethyl)-2-methoxyphenol;hydrochloride

C12H19ClO3 — CID 175330129

IUPAC4-(butoxymethyl)-2-methoxyphenol;hydrochloride
SMILESCCCCOCc1ccc(O)c(OC)c1.Cl
InChIInChI=1S/C12H18O3.ClH/c1-3-4-7-15-9-10-5-6-11(13)12(8-10)14-2;/h5-6,8,13H,3-4,7,9H2,1-2H3;1H
InChIKeyZLMXZKRNEOLGOK-UHFFFAOYSA-N
MW246.73 g/mol
LogP3.14
Rot. Bonds6

About 4-(butoxymethyl)-2-methoxyphenol;hydrochloride

4-(butoxymethyl)-2-methoxyphenol;hydrochloride (PubChem CID 175330129) has the molecular formula C12H19ClO3 and a molecular weight of 246.73 g/mol. Its IUPAC name is 4-(butoxymethyl)-2-methoxyphenol;hydrochloride.

Molecular Properties

Compound Name4-(butoxymethyl)-2-methoxyphenol;hydrochloride
PubChem CID175330129
Molecular FormulaC12H19ClO3
Molecular Weight246.73 g/mol
Exact Mass246.10
IUPAC Name4-(butoxymethyl)-2-methoxyphenol;hydrochloride
SMILESCCCCOCc1ccc(O)c(OC)c1.Cl
InChIInChI=1S/C12H18O3.ClH/c1-3-4-7-15-9-10-5-6-11(13)12(8-10)14-2;/h5-6,8,13H,3-4,7,9H2,1-2H3;1H
InChIKeyZLMXZKRNEOLGOK-UHFFFAOYSA-N
XLogP3.14
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.73
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol
CID 22599015
4-(hydroxymethyl)-2-methoxyphenol;1-pentoxypentane
CID 71151145
1-butoxybutane;4-(hydroxymethyl)-2-methoxyphenol;phosphoric acid
CID 69028004
4-(ethoxymethoxymethyl)-2-methoxyphenol
CID 46944567
4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol;nonanoic acid
CID 155414838
4-butoxy-2-methoxyphenol
CID 53249740
4-(hydroxymethyl)-2-methoxyphenol;1-propoxypropane
CID 66600810
4-(butoxymethyl)-2-methoxy-1-nitrobenzene
CID 91724481
4-(butoxymethyl)-1,2-dimethylbenzene
CID 57131464

Frequently Asked Questions

What is the IUPAC name of 4-(butoxymethyl)-2-methoxyphenol;hydrochloride?
The IUPAC name of 4-(butoxymethyl)-2-methoxyphenol;hydrochloride (CID 175330129) is 4-(butoxymethyl)-2-methoxyphenol;hydrochloride.
What is the SMILES notation for 4-(butoxymethyl)-2-methoxyphenol;hydrochloride?
The canonical SMILES for 4-(butoxymethyl)-2-methoxyphenol;hydrochloride is CCCCOCc1ccc(O)c(OC)c1.Cl.
What is the InChIKey of 4-(butoxymethyl)-2-methoxyphenol;hydrochloride?
The InChIKey is ZLMXZKRNEOLGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3.ClH/c1-3-4-7-15-9-10-5-6-11(13)12(8-10)14-2;/h5-6,8,13H,3-4,7,9H2,1-2H3;1H.
What are the key properties of 4-(butoxymethyl)-2-methoxyphenol;hydrochloride?
4-(butoxymethyl)-2-methoxyphenol;hydrochloride has a molecular weight of 246.73 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butoxymethyl)-2-methoxyphenol;hydrochloride is sourced from PubChem (CID 175330129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).