(3E,5Z)-8-[(4-methoxyphenyl)methoxy]-5-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-methylocta-3,5-dien-1-ol

C27H36O5 — CID 101399709

IUPAC(3E,5Z)-8-[(4-methoxyphenyl)methoxy]-5-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-methylocta-3,5-dien-1-ol
SMILESCOc1ccc(COCC/C=C(CCOCc2ccc(OC)cc2)\C(C)=C\CCO)cc1
InChIInChI=1S/C27H36O5/c1-22(6-4-17-28)25(16-19-32-21-24-10-14-27(30-3)15-11-24)7-5-18-31-20-23-8-12-26(29-2)13-9-23/h6-15,28H,4-5,16-21H2,1-3H3/b22-6+,25-7-
InChIKeyNADTWNLLIQVWFW-YURFJZLPSA-N
MW440.58 g/mol
LogP5.47
Rot. Bonds15

About (3E,5Z)-8-[(4-methoxyphenyl)methoxy]-5-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-methylocta-3,5-dien-1-ol

(3E,5Z)-8-[(4-methoxyphenyl)methoxy]-5-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-methylocta-3,5-dien-1-ol (PubChem CID 101399709) has the molecular formula C27H36O5 and a molecular weight of 440.58 g/mol. Its IUPAC name is (3E,5Z)-8-[(4-methoxyphenyl)methoxy]-5-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-methylocta-3,5-dien-1-ol.

Molecular Properties

Compound Name(3E,5Z)-8-[(4-methoxyphenyl)methoxy]-5-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-methylocta-3,5-dien-1-ol
PubChem CID101399709
Molecular FormulaC27H36O5
Molecular Weight440.58 g/mol
Exact Mass440.26
IUPAC Name(3E,5Z)-8-[(4-methoxyphenyl)methoxy]-5-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-methylocta-3,5-dien-1-ol
SMILESCOc1ccc(COCC/C=C(CCOCc2ccc(OC)cc2)\C(C)=C\CCO)cc1
InChIInChI=1S/C27H36O5/c1-22(6-4-17-28)25(16-19-32-21-24-10-14-27(30-3)15-11-24)7-5-18-31-20-23-8-12-26(29-2)13-9-23/h6-15,28H,4-5,16-21H2,1-3H3/b22-6+,25-7-
InChIKeyNADTWNLLIQVWFW-YURFJZLPSA-N
XLogP5.47
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.58
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-[[(3E)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-methylhepta-3,6-dienoxy]methyl]benzene
CID 101454627
1-methoxy-4-[[(3E)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]hepta-3,6-dienoxy]methyl]benzene
CID 101454626
(E)-6-[(4-methoxyphenyl)methoxy]hex-3-en-2-one
CID 10752160
ethyl (2E,4Z)-4-iodo-7-[(4-methoxyphenyl)methoxy]hepta-2,4-dienoate
CID 24900139
1-[[(Z)-3-cyclopent-2-en-1-yl-6-[(4-methoxyphenyl)methoxy]hex-3-enoxy]methyl]-4-methoxybenzene
CID 177407147
2-[3-[(4-methoxyphenyl)methoxy]propyl]propane-1,3-diol
CID 24742721
5-[(4-methoxyphenyl)methoxy]-2-[3-[(4-methoxyphenyl)methoxy]propyl]pentan-1-ol
CID 11025823
14-[(4-methoxyphenyl)methoxy]tetradecanal
CID 25186279
1-methoxy-4-[[(3E,6E)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-7-phenylhepta-3,6-dienoxy]methyl]benzene
CID 101454631
1-methoxy-4-(octoxymethyl)benzene
CID 11288168
1-bromo-4-[4-(4-methoxyphenyl)butoxymethyl]benzene
CID 24799162
6-[(4-methoxyphenyl)methoxy]hex-2-yn-1-ol
CID 11230051

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-8-[(4-methoxyphenyl)methoxy]-5-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-methylocta-3,5-dien-1-ol?
The IUPAC name of (3E,5Z)-8-[(4-methoxyphenyl)methoxy]-5-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-methylocta-3,5-dien-1-ol (CID 101399709) is (3E,5Z)-8-[(4-methoxyphenyl)methoxy]-5-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-methylocta-3,5-dien-1-ol.
What is the SMILES notation for (3E,5Z)-8-[(4-methoxyphenyl)methoxy]-5-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-methylocta-3,5-dien-1-ol?
The canonical SMILES for (3E,5Z)-8-[(4-methoxyphenyl)methoxy]-5-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-methylocta-3,5-dien-1-ol is COc1ccc(COCC/C=C(CCOCc2ccc(OC)cc2)\C(C)=C\CCO)cc1.
What is the InChIKey of (3E,5Z)-8-[(4-methoxyphenyl)methoxy]-5-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-methylocta-3,5-dien-1-ol?
The InChIKey is NADTWNLLIQVWFW-YURFJZLPSA-N. The full InChI is InChI=1S/C27H36O5/c1-22(6-4-17-28)25(16-19-32-21-24-10-14-27(30-3)15-11-24)7-5-18-31-20-23-8-12-26(29-2)13-9-23/h6-15,28H,4-5,16-21H2,1-3H3/b22-6+,25-7-.
What are the key properties of (3E,5Z)-8-[(4-methoxyphenyl)methoxy]-5-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-methylocta-3,5-dien-1-ol?
(3E,5Z)-8-[(4-methoxyphenyl)methoxy]-5-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-methylocta-3,5-dien-1-ol has a molecular weight of 440.58 g/mol, XLogP of 5.47, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-8-[(4-methoxyphenyl)methoxy]-5-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-methylocta-3,5-dien-1-ol is sourced from PubChem (CID 101399709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).