2-methoxy-4-[2-[(4R,6R)-6-pentyl-1,3-dioxan-4-yl]ethyl]phenol

C18H28O4 — CID 163059421

IUPAC2-methoxy-4-[2-[(4R,6R)-6-pentyl-1,3-dioxan-4-yl]ethyl]phenol
SMILESCCCCC[C@@H]1C[C@@H](CCc2ccc(O)c(OC)c2)OCO1
InChIInChI=1S/C18H28O4/c1-3-4-5-6-15-12-16(22-13-21-15)9-7-14-8-10-17(19)18(11-14)20-2/h8,10-11,15-16,19H,3-7,9,12-13H2,1-2H3/t15-,16-/m1/s1
InChIKeyJBAPHGKWYYAKIJ-HZPDHXFCSA-N
MW308.42 g/mol
LogP4.05
Rot. Bonds8

About 2-methoxy-4-[2-[(4R,6R)-6-pentyl-1,3-dioxan-4-yl]ethyl]phenol

2-methoxy-4-[2-[(4R,6R)-6-pentyl-1,3-dioxan-4-yl]ethyl]phenol (PubChem CID 163059421) has the molecular formula C18H28O4 and a molecular weight of 308.42 g/mol. Its IUPAC name is 2-methoxy-4-[2-[(4R,6R)-6-pentyl-1,3-dioxan-4-yl]ethyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[2-[(4R,6R)-6-pentyl-1,3-dioxan-4-yl]ethyl]phenol
PubChem CID163059421
Molecular FormulaC18H28O4
Molecular Weight308.42 g/mol
Exact Mass308.20
IUPAC Name2-methoxy-4-[2-[(4R,6R)-6-pentyl-1,3-dioxan-4-yl]ethyl]phenol
SMILESCCCCC[C@@H]1C[C@@H](CCc2ccc(O)c(OC)c2)OCO1
InChIInChI=1S/C18H28O4/c1-3-4-5-6-15-12-16(22-13-21-15)9-7-14-8-10-17(19)18(11-14)20-2/h8,10-11,15-16,19H,3-7,9,12-13H2,1-2H3/t15-,16-/m1/s1
InChIKeyJBAPHGKWYYAKIJ-HZPDHXFCSA-N
XLogP4.05
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methoxy-4-[2-[(4R,6R)-6-pentyl-1,3-dioxan-4-yl]ethyl]phenol 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

2-methoxy-4-[2-(3-nonyloxiran-2-yl)ethyl]phenol
CID 137432150
ethane;2-methoxy-4-propylphenol
CID 144852330
2-[2-(4-butyl-2-methoxyphenyl)ethyl]oxirane
CID 89049664
2-(4-hydroxy-3-methoxyphenyl)-N-(4-pentylcyclohexyl)acetamide
CID 12004061
4-(3-hydroxyheptyl)-2-methoxyphenol
CID 142945422
ethane;1-(4-hydroxy-3-methoxyphenyl)decane-3,5-diol
CID 156738617
4-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-4-methyloxan-2-one
CID 12878322
tris(2-methoxy-4-propylphenol);phosphoric acid
CID 71328492
2-methoxy-4-(tetradecoxymethyl)phenol
CID 15468909
4-(hydroxymethyl)-2-methoxyphenol;1-pentoxypentane
CID 71151145
2-(4-hydroxy-3-methoxyphenyl)ethyl octacosanoate
CID 101421508
(4S,6S)-4,6-dibutyl-1,3-dioxane
CID 92860075

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[2-[(4R,6R)-6-pentyl-1,3-dioxan-4-yl]ethyl]phenol?
The IUPAC name of 2-methoxy-4-[2-[(4R,6R)-6-pentyl-1,3-dioxan-4-yl]ethyl]phenol (CID 163059421) is 2-methoxy-4-[2-[(4R,6R)-6-pentyl-1,3-dioxan-4-yl]ethyl]phenol.
What is the SMILES notation for 2-methoxy-4-[2-[(4R,6R)-6-pentyl-1,3-dioxan-4-yl]ethyl]phenol?
The canonical SMILES for 2-methoxy-4-[2-[(4R,6R)-6-pentyl-1,3-dioxan-4-yl]ethyl]phenol is CCCCC[C@@H]1C[C@@H](CCc2ccc(O)c(OC)c2)OCO1.
What is the InChIKey of 2-methoxy-4-[2-[(4R,6R)-6-pentyl-1,3-dioxan-4-yl]ethyl]phenol?
The InChIKey is JBAPHGKWYYAKIJ-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H28O4/c1-3-4-5-6-15-12-16(22-13-21-15)9-7-14-8-10-17(19)18(11-14)20-2/h8,10-11,15-16,19H,3-7,9,12-13H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of 2-methoxy-4-[2-[(4R,6R)-6-pentyl-1,3-dioxan-4-yl]ethyl]phenol?
2-methoxy-4-[2-[(4R,6R)-6-pentyl-1,3-dioxan-4-yl]ethyl]phenol has a molecular weight of 308.42 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[2-[(4R,6R)-6-pentyl-1,3-dioxan-4-yl]ethyl]phenol is sourced from PubChem (CID 163059421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).