(5E)-2-[(4-methoxyphenyl)methoxymethyl]-6,10-dimethylundeca-1,5,10-trien-4-ol

C22H32O3 — CID 71662031

IUPAC(5E)-2-[(4-methoxyphenyl)methoxymethyl]-6,10-dimethylundeca-1,5,10-trien-4-ol
SMILESC=C(C)CCC/C(C)=C/C(O)CC(=C)COCc1ccc(OC)cc1
InChIInChI=1S/C22H32O3/c1-17(2)7-6-8-18(3)13-21(23)14-19(4)15-25-16-20-9-11-22(24-5)12-10-20/h9-13,21,23H,1,4,6-8,14-16H2,2-3,5H3/b18-13+
InChIKeyVMHGPIAHXOHEHZ-QGOAFFKASA-N
MW344.50 g/mol
LogP5.21
Rot. Bonds12

About (5E)-2-[(4-methoxyphenyl)methoxymethyl]-6,10-dimethylundeca-1,5,10-trien-4-ol

(5E)-2-[(4-methoxyphenyl)methoxymethyl]-6,10-dimethylundeca-1,5,10-trien-4-ol (PubChem CID 71662031) has the molecular formula C22H32O3 and a molecular weight of 344.50 g/mol. Its IUPAC name is (5E)-2-[(4-methoxyphenyl)methoxymethyl]-6,10-dimethylundeca-1,5,10-trien-4-ol.

Molecular Properties

Compound Name(5E)-2-[(4-methoxyphenyl)methoxymethyl]-6,10-dimethylundeca-1,5,10-trien-4-ol
PubChem CID71662031
Molecular FormulaC22H32O3
Molecular Weight344.50 g/mol
Exact Mass344.24
IUPAC Name(5E)-2-[(4-methoxyphenyl)methoxymethyl]-6,10-dimethylundeca-1,5,10-trien-4-ol
SMILESC=C(C)CCC/C(C)=C/C(O)CC(=C)COCc1ccc(OC)cc1
InChIInChI=1S/C22H32O3/c1-17(2)7-6-8-18(3)13-21(23)14-19(4)15-25-16-20-9-11-22(24-5)12-10-20/h9-13,21,23H,1,4,6-8,14-16H2,2-3,5H3/b18-13+
InChIKeyVMHGPIAHXOHEHZ-QGOAFFKASA-N
XLogP5.21
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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1-(2-chloroprop-2-enoxymethyl)-4-methoxybenzene
CID 10798623
(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-4-methylpent-3-en-2-ol
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CID 24864257
(E,2S)-4-iodo-1-[(4-methoxyphenyl)methoxy]but-3-en-2-ol
CID 56651391
(3S)-1-[(4-methoxyphenyl)methoxy]hexa-4,5-dien-3-ol
CID 11770384
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(E,2R,5S)-1-[(4-methoxyphenyl)methoxy]-5-methylhept-3-en-2-ol
CID 10084181
ethyl (2S)-2-hydroxy-4-[(4-methoxyphenyl)methoxymethyl]-5-methylhex-4-enoate
CID 11023702
(3S)-1-[(4-methoxyphenyl)methoxy]hex-5-en-3-ol
CID 46900175

Frequently Asked Questions

What is the IUPAC name of (5E)-2-[(4-methoxyphenyl)methoxymethyl]-6,10-dimethylundeca-1,5,10-trien-4-ol?
The IUPAC name of (5E)-2-[(4-methoxyphenyl)methoxymethyl]-6,10-dimethylundeca-1,5,10-trien-4-ol (CID 71662031) is (5E)-2-[(4-methoxyphenyl)methoxymethyl]-6,10-dimethylundeca-1,5,10-trien-4-ol.
What is the SMILES notation for (5E)-2-[(4-methoxyphenyl)methoxymethyl]-6,10-dimethylundeca-1,5,10-trien-4-ol?
The canonical SMILES for (5E)-2-[(4-methoxyphenyl)methoxymethyl]-6,10-dimethylundeca-1,5,10-trien-4-ol is C=C(C)CCC/C(C)=C/C(O)CC(=C)COCc1ccc(OC)cc1.
What is the InChIKey of (5E)-2-[(4-methoxyphenyl)methoxymethyl]-6,10-dimethylundeca-1,5,10-trien-4-ol?
The InChIKey is VMHGPIAHXOHEHZ-QGOAFFKASA-N. The full InChI is InChI=1S/C22H32O3/c1-17(2)7-6-8-18(3)13-21(23)14-19(4)15-25-16-20-9-11-22(24-5)12-10-20/h9-13,21,23H,1,4,6-8,14-16H2,2-3,5H3/b18-13+.
What are the key properties of (5E)-2-[(4-methoxyphenyl)methoxymethyl]-6,10-dimethylundeca-1,5,10-trien-4-ol?
(5E)-2-[(4-methoxyphenyl)methoxymethyl]-6,10-dimethylundeca-1,5,10-trien-4-ol has a molecular weight of 344.50 g/mol, XLogP of 5.21, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-[(4-methoxyphenyl)methoxymethyl]-6,10-dimethylundeca-1,5,10-trien-4-ol is sourced from PubChem (CID 71662031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).