4-[3-[3-ethyl-2-[2-(2-methoxyethoxy)ethyl]-4,6-bis(methoxymethoxy)phenyl]phenyl]butan-2-ol

C27H40O7 — CID 23147308

IUPAC4-[3-[3-ethyl-2-[2-(2-methoxyethoxy)ethyl]-4,6-bis(methoxymethoxy)phenyl]phenyl]butan-2-ol
SMILESCCc1c(OCOC)cc(OCOC)c(-c2cccc(CCC(C)O)c2)c1CCOCCOC
InChIInChI=1S/C27H40O7/c1-6-23-24(12-13-32-15-14-29-3)27(22-9-7-8-21(16-22)11-10-20(2)28)26(34-19-31-5)17-25(23)33-18-30-4/h7-9,16-17,20,28H,6,10-15,18-19H2,1-5H3
InChIKeyZAJSYJFNMYPXRT-UHFFFAOYSA-N
MW476.61 g/mol
LogP4.40
Rot. Bonds17

About 4-[3-[3-ethyl-2-[2-(2-methoxyethoxy)ethyl]-4,6-bis(methoxymethoxy)phenyl]phenyl]butan-2-ol

4-[3-[3-ethyl-2-[2-(2-methoxyethoxy)ethyl]-4,6-bis(methoxymethoxy)phenyl]phenyl]butan-2-ol (PubChem CID 23147308) has the molecular formula C27H40O7 and a molecular weight of 476.61 g/mol. Its IUPAC name is 4-[3-[3-ethyl-2-[2-(2-methoxyethoxy)ethyl]-4,6-bis(methoxymethoxy)phenyl]phenyl]butan-2-ol.

Molecular Properties

Compound Name4-[3-[3-ethyl-2-[2-(2-methoxyethoxy)ethyl]-4,6-bis(methoxymethoxy)phenyl]phenyl]butan-2-ol
PubChem CID23147308
Molecular FormulaC27H40O7
Molecular Weight476.61 g/mol
Exact Mass476.28
IUPAC Name4-[3-[3-ethyl-2-[2-(2-methoxyethoxy)ethyl]-4,6-bis(methoxymethoxy)phenyl]phenyl]butan-2-ol
SMILESCCc1c(OCOC)cc(OCOC)c(-c2cccc(CCC(C)O)c2)c1CCOCCOC
InChIInChI=1S/C27H40O7/c1-6-23-24(12-13-32-15-14-29-3)27(22-9-7-8-21(16-22)11-10-20(2)28)26(34-19-31-5)17-25(23)33-18-30-4/h7-9,16-17,20,28H,6,10-15,18-19H2,1-5H3
InChIKeyZAJSYJFNMYPXRT-UHFFFAOYSA-N
XLogP4.40
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.61
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 4-[3-[3-ethyl-2-[2-(2-methoxyethoxy)ethyl]-4,6-bis(methoxymethoxy)phenyl]phenyl]butan-2-ol with MolForge

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Related Compounds

2-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethoxy]acetamide
CID 23147052
2-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethoxy]acetic acid
CID 23146920
3-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]propan-1-ol
CID 23147311
2-[3-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]propoxy]-N-methylacetamide
CID 23147428
2-[2-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethoxy]ethoxy]oxane
CID 23147278
methyl 3-[3-ethyl-4,6-bis(methoxycarbonyloxy)-2-(2-methoxyethyl)phenyl]benzoate
CID 23146933
[3-ethyl-2-(2-methoxyethyl)-4,6-bis(methoxymethoxy)phenyl]-(4-methoxyphenyl)methanol
CID 23116291
1,2-diethyl-3-(2-methoxyethoxymethoxy)benzene
CID 54400320
methyl 5-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethyl]-1,3-oxazole-4-carboxylate
CID 23147507
(2R)-4-(3-ethoxyphenyl)butan-2-ol
CID 94920388
4-ethyl-5-(2-methoxyethyl)-6-(3-methylphenyl)benzene-1,3-diol
CID 23147031
methyl 2-[3,5-bis(methoxymethoxy)-2-[3-(3-oxobutyl)phenyl]phenyl]acetate
CID 69024587

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-ethyl-2-[2-(2-methoxyethoxy)ethyl]-4,6-bis(methoxymethoxy)phenyl]phenyl]butan-2-ol?
The IUPAC name of 4-[3-[3-ethyl-2-[2-(2-methoxyethoxy)ethyl]-4,6-bis(methoxymethoxy)phenyl]phenyl]butan-2-ol (CID 23147308) is 4-[3-[3-ethyl-2-[2-(2-methoxyethoxy)ethyl]-4,6-bis(methoxymethoxy)phenyl]phenyl]butan-2-ol.
What is the SMILES notation for 4-[3-[3-ethyl-2-[2-(2-methoxyethoxy)ethyl]-4,6-bis(methoxymethoxy)phenyl]phenyl]butan-2-ol?
The canonical SMILES for 4-[3-[3-ethyl-2-[2-(2-methoxyethoxy)ethyl]-4,6-bis(methoxymethoxy)phenyl]phenyl]butan-2-ol is CCc1c(OCOC)cc(OCOC)c(-c2cccc(CCC(C)O)c2)c1CCOCCOC.
What is the InChIKey of 4-[3-[3-ethyl-2-[2-(2-methoxyethoxy)ethyl]-4,6-bis(methoxymethoxy)phenyl]phenyl]butan-2-ol?
The InChIKey is ZAJSYJFNMYPXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40O7/c1-6-23-24(12-13-32-15-14-29-3)27(22-9-7-8-21(16-22)11-10-20(2)28)26(34-19-31-5)17-25(23)33-18-30-4/h7-9,16-17,20,28H,6,10-15,18-19H2,1-5H3.
What are the key properties of 4-[3-[3-ethyl-2-[2-(2-methoxyethoxy)ethyl]-4,6-bis(methoxymethoxy)phenyl]phenyl]butan-2-ol?
4-[3-[3-ethyl-2-[2-(2-methoxyethoxy)ethyl]-4,6-bis(methoxymethoxy)phenyl]phenyl]butan-2-ol has a molecular weight of 476.61 g/mol, XLogP of 4.40, 17 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-ethyl-2-[2-(2-methoxyethoxy)ethyl]-4,6-bis(methoxymethoxy)phenyl]phenyl]butan-2-ol is sourced from PubChem (CID 23147308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).