3-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]propan-1-ol

C21H28O5 — CID 23147311

IUPAC3-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]propan-1-ol
SMILESCCc1c(OCOC)cc(OCOC)c(-c2ccccc2)c1CCCO
InChIInChI=1S/C21H28O5/c1-4-17-18(11-8-12-22)21(16-9-6-5-7-10-16)20(26-15-24-3)13-19(17)25-14-23-2/h5-7,9-10,13,22H,4,8,11-12,14-15H2,1-3H3
InChIKeyKSWOMZBYLLJSQB-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.81
Rot. Bonds11

About 3-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]propan-1-ol

3-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]propan-1-ol (PubChem CID 23147311) has the molecular formula C21H28O5 and a molecular weight of 360.45 g/mol. Its IUPAC name is 3-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]propan-1-ol
PubChem CID23147311
Molecular FormulaC21H28O5
Molecular Weight360.45 g/mol
Exact Mass360.19
IUPAC Name3-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]propan-1-ol
SMILESCCc1c(OCOC)cc(OCOC)c(-c2ccccc2)c1CCCO
InChIInChI=1S/C21H28O5/c1-4-17-18(11-8-12-22)21(16-9-6-5-7-10-16)20(26-15-24-3)13-19(17)25-14-23-2/h5-7,9-10,13,22H,4,8,11-12,14-15H2,1-3H3
InChIKeyKSWOMZBYLLJSQB-UHFFFAOYSA-N
XLogP3.81
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]propoxy]-N-methylacetamide
CID 23147428
2-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethoxy]acetic acid
CID 23146920
2-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethoxy]acetamide
CID 23147052
methyl 5-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethyl]-1,3-oxazole-4-carboxylate
CID 23147507
2-[2-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethoxy]ethoxy]oxane
CID 23147278
4-[3-[3-ethyl-2-[2-(2-methoxyethoxy)ethyl]-4,6-bis(methoxymethoxy)phenyl]phenyl]butan-2-ol
CID 23147308
2-[2-bromo-3,5-bis(methoxymethoxy)-6-phenylphenyl]-N,N-dimethylethanamine
CID 23146939
3-(2-ethyl-3,6-dimethoxyphenyl)propan-1-ol
CID 117322230
2-[2-[2-(3,4-dimethoxyphenyl)-6-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethanol
CID 23147397
1-(methoxymethoxy)-3-methyl-2-phenylbenzene
CID 58214661
3-[3-(3-hydroxypropoxy)-2-pentyl-5-phenylphenoxy]propan-1-ol
CID 130301437
2-[2-bromo-3,5-bis(methoxymethoxy)-6-phenylphenyl]-N-(2-methoxyethyl)acetamide
CID 23147478

Frequently Asked Questions

What is the IUPAC name of 3-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]propan-1-ol?
The IUPAC name of 3-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]propan-1-ol (CID 23147311) is 3-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]propan-1-ol.
What is the SMILES notation for 3-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]propan-1-ol?
The canonical SMILES for 3-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]propan-1-ol is CCc1c(OCOC)cc(OCOC)c(-c2ccccc2)c1CCCO.
What is the InChIKey of 3-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]propan-1-ol?
The InChIKey is KSWOMZBYLLJSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O5/c1-4-17-18(11-8-12-22)21(16-9-6-5-7-10-16)20(26-15-24-3)13-19(17)25-14-23-2/h5-7,9-10,13,22H,4,8,11-12,14-15H2,1-3H3.
What are the key properties of 3-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]propan-1-ol?
3-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]propan-1-ol has a molecular weight of 360.45 g/mol, XLogP of 3.81, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]propan-1-ol is sourced from PubChem (CID 23147311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).