[(2R)-2-ethoxy-3-(methoxymethoxy)propoxy]methylbenzene

C14H22O4 — CID 140879389

IUPAC[(2R)-2-ethoxy-3-(methoxymethoxy)propoxy]methylbenzene
SMILESCCO[C@@H](COCOC)COCc1ccccc1
InChIInChI=1S/C14H22O4/c1-3-18-14(11-17-12-15-2)10-16-9-13-7-5-4-6-8-13/h4-8,14H,3,9-12H2,1-2H3/t14-/m1/s1
InChIKeyFYIBLRQSNUNDLO-CQSZACIVSA-N
MW254.33 g/mol
LogP2.23
Rot. Bonds10

About [(2R)-2-ethoxy-3-(methoxymethoxy)propoxy]methylbenzene

[(2R)-2-ethoxy-3-(methoxymethoxy)propoxy]methylbenzene (PubChem CID 140879389) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is [(2R)-2-ethoxy-3-(methoxymethoxy)propoxy]methylbenzene.

Molecular Properties

Compound Name[(2R)-2-ethoxy-3-(methoxymethoxy)propoxy]methylbenzene
PubChem CID140879389
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name[(2R)-2-ethoxy-3-(methoxymethoxy)propoxy]methylbenzene
SMILESCCO[C@@H](COCOC)COCc1ccccc1
InChIInChI=1S/C14H22O4/c1-3-18-14(11-17-12-15-2)10-16-9-13-7-5-4-6-8-13/h4-8,14H,3,9-12H2,1-2H3/t14-/m1/s1
InChIKeyFYIBLRQSNUNDLO-CQSZACIVSA-N
XLogP2.23
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [(2R)-2-ethoxy-3-(methoxymethoxy)propoxy]methylbenzene 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-ethoxy-3-phenylmethoxypropan-1-amine
CID 63069675
[1-[2,3-bis(phenylmethoxy)propoxymethoxy]-3-phenylmethoxypropan-2-yl]oxymethylbenzene
CID 57272060
[(2S)-3-methoxy-2-octadecoxypropoxy]methylbenzene
CID 167022005
2,3-bis[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxymethylbenzene
CID 139525451
[(2S,3S,4R)-2,3-bis(methoxymethoxy)-4-phenylmethoxyhex-5-enoxy]methylbenzene
CID 122213469
ethyl (2S,3R,4S)-2,3-bis(methoxymethoxy)-4-methyl-5-phenylmethoxypentanoate
CID 10595340
1,2,3-tris(methoxymethoxy)propane
CID 54530137
N-(2-ethoxy-3-phenylmethoxypropyl)-N-methyloctadecan-1-amine
CID 19897854
[(E,2R,3S)-2-(methoxymethoxy)-3,6-bis(phenylmethoxy)hex-4-enoxy]methylbenzene
CID 135036465
(E,4S,5R)-5-(methoxymethoxy)-4,6-bis(phenylmethoxy)hex-2-en-1-ol
CID 135036464
(213C)ethoxymethylbenzene
CID 87947851
(2-hydroperoxy-3-phenylmethoxypropoxy)methylbenzene
CID 12994155

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-ethoxy-3-(methoxymethoxy)propoxy]methylbenzene?
The IUPAC name of [(2R)-2-ethoxy-3-(methoxymethoxy)propoxy]methylbenzene (CID 140879389) is [(2R)-2-ethoxy-3-(methoxymethoxy)propoxy]methylbenzene.
What is the SMILES notation for [(2R)-2-ethoxy-3-(methoxymethoxy)propoxy]methylbenzene?
The canonical SMILES for [(2R)-2-ethoxy-3-(methoxymethoxy)propoxy]methylbenzene is CCO[C@@H](COCOC)COCc1ccccc1.
What is the InChIKey of [(2R)-2-ethoxy-3-(methoxymethoxy)propoxy]methylbenzene?
The InChIKey is FYIBLRQSNUNDLO-CQSZACIVSA-N. The full InChI is InChI=1S/C14H22O4/c1-3-18-14(11-17-12-15-2)10-16-9-13-7-5-4-6-8-13/h4-8,14H,3,9-12H2,1-2H3/t14-/m1/s1.
What are the key properties of [(2R)-2-ethoxy-3-(methoxymethoxy)propoxy]methylbenzene?
[(2R)-2-ethoxy-3-(methoxymethoxy)propoxy]methylbenzene has a molecular weight of 254.33 g/mol, XLogP of 2.23, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-ethoxy-3-(methoxymethoxy)propoxy]methylbenzene is sourced from PubChem (CID 140879389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).