4-(hydroxymethyl)-2-methoxyphenol;1-propoxypropane

C14H24O4 — CID 66600810

IUPAC4-(hydroxymethyl)-2-methoxyphenol;1-propoxypropane
SMILESCCCOCCC.COc1cc(CO)ccc1O
InChIInChI=1S/C8H10O3.C6H14O/c1-11-8-4-6(5-9)2-3-7(8)10;1-3-5-7-6-4-2/h2-4,9-10H,5H2,1H3;3-6H2,1-2H3
InChIKeyAQOQECKDVUZJBG-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.72
Rot. Bonds6

About 4-(hydroxymethyl)-2-methoxyphenol;1-propoxypropane

4-(hydroxymethyl)-2-methoxyphenol;1-propoxypropane (PubChem CID 66600810) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 4-(hydroxymethyl)-2-methoxyphenol;1-propoxypropane.

Molecular Properties

Compound Name4-(hydroxymethyl)-2-methoxyphenol;1-propoxypropane
PubChem CID66600810
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name4-(hydroxymethyl)-2-methoxyphenol;1-propoxypropane
SMILESCCCOCCC.COc1cc(CO)ccc1O
InChIInChI=1S/C8H10O3.C6H14O/c1-11-8-4-6(5-9)2-3-7(8)10;1-3-5-7-6-4-2/h2-4,9-10H,5H2,1H3;3-6H2,1-2H3
InChIKeyAQOQECKDVUZJBG-UHFFFAOYSA-N
XLogP2.72
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(hydroxymethyl)-2-methoxyphenol;1-propoxypropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(hydroxymethyl)-2-methoxyphenol;1-pentoxypentane
CID 71151145
1-butoxybutane;4-(hydroxymethyl)-2-methoxyphenol;phosphoric acid
CID 69028004
4-(hydroxymethyl)-2-methoxyphenol;3-methyl-1-(3-methylbutoxy)butane
CID 66731296
acetic acid;butane-2,3-dione;4-(hydroxymethyl)-2-methoxyphenol
CID 175343442
butanedioic acid;4-(hydroxymethyl)-2-methoxyphenol
CID 174397560
4-(2-butoxyethoxymethyl)-2-methoxyphenol
CID 139805513
4-(butoxymethyl)-2-methoxyphenol;ethanol
CID 66730782
ethane;2-methoxy-4-propylphenol
CID 144852330
4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol
CID 22599015
4-(butoxymethyl)-2-methoxyphenol;hydrochloride
CID 175330129
4-(hydroxymethyl)-2-methoxyphenol;bis(2-methylprop-2-enoic acid)
CID 118541193
4-[3-(2-hydroxyethoxy)propyl]-2-methoxyphenol
CID 11356573

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-2-methoxyphenol;1-propoxypropane?
The IUPAC name of 4-(hydroxymethyl)-2-methoxyphenol;1-propoxypropane (CID 66600810) is 4-(hydroxymethyl)-2-methoxyphenol;1-propoxypropane.
What is the SMILES notation for 4-(hydroxymethyl)-2-methoxyphenol;1-propoxypropane?
The canonical SMILES for 4-(hydroxymethyl)-2-methoxyphenol;1-propoxypropane is CCCOCCC.COc1cc(CO)ccc1O.
What is the InChIKey of 4-(hydroxymethyl)-2-methoxyphenol;1-propoxypropane?
The InChIKey is AQOQECKDVUZJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3.C6H14O/c1-11-8-4-6(5-9)2-3-7(8)10;1-3-5-7-6-4-2/h2-4,9-10H,5H2,1H3;3-6H2,1-2H3.
What are the key properties of 4-(hydroxymethyl)-2-methoxyphenol;1-propoxypropane?
4-(hydroxymethyl)-2-methoxyphenol;1-propoxypropane has a molecular weight of 256.34 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-2-methoxyphenol;1-propoxypropane is sourced from PubChem (CID 66600810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).