(3E)-1-methoxy-2-methyl-5-phenylmethoxyhexa-3,5-dien-3-ol

C15H20O3 — CID 166726203

IUPAC(3E)-1-methoxy-2-methyl-5-phenylmethoxyhexa-3,5-dien-3-ol
SMILESC=C(/C=C(/O)C(C)COC)OCc1ccccc1
InChIInChI=1S/C15H20O3/c1-12(10-17-3)15(16)9-13(2)18-11-14-7-5-4-6-8-14/h4-9,12,16H,2,10-11H2,1,3H3/b15-9+
InChIKeyUGSWIDLIVMKOMU-OQLLNIDSSA-N
MW248.32 g/mol
LogP3.44
Rot. Bonds7

About (3E)-1-methoxy-2-methyl-5-phenylmethoxyhexa-3,5-dien-3-ol

(3E)-1-methoxy-2-methyl-5-phenylmethoxyhexa-3,5-dien-3-ol (PubChem CID 166726203) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is (3E)-1-methoxy-2-methyl-5-phenylmethoxyhexa-3,5-dien-3-ol.

Molecular Properties

Compound Name(3E)-1-methoxy-2-methyl-5-phenylmethoxyhexa-3,5-dien-3-ol
PubChem CID166726203
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name(3E)-1-methoxy-2-methyl-5-phenylmethoxyhexa-3,5-dien-3-ol
SMILESC=C(/C=C(/O)C(C)COC)OCc1ccccc1
InChIInChI=1S/C15H20O3/c1-12(10-17-3)15(16)9-13(2)18-11-14-7-5-4-6-8-14/h4-9,12,16H,2,10-11H2,1,3H3/b15-9+
InChIKeyUGSWIDLIVMKOMU-OQLLNIDSSA-N
XLogP3.44
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-methylpenta-1,3-dien-2-yloxymethylbenzene
CID 143601127
benzyl 2-methylhex-5-enoate
CID 14713099
(E)-3-methyl-1-phenylmethoxybut-1-en-1-ol
CID 15837583
benzyl 2-(2-methoxyethoxy)prop-2-enoate
CID 141018088
(3R)-3-(methoxymethyl)-4-oxo-4-phenylmethoxybutanoic acid
CID 175165808
benzyl 3-(1-methoxybutan-2-ylamino)-2-methylpropanoate
CID 106484043
benzyl (2R)-3-hydroxy-2-methylpropanoate
CID 102381310
[(3E)-2-phenylmethoxypenta-1,3-dien-3-yl]oxymethylbenzene
CID 134286025
(3-ethyl-4-methylpent-1-en-2-yl)oxymethylbenzene
CID 166967540
dibenzyl 2-(2-methoxyethyl)propanedioate
CID 54144551
(2R)-N-benzyl-3-methoxy-2-methylpropanamide
CID 12051861
[(3E)-2,6-dimethylhepta-1,3,5-trien-4-yl]oxymethylbenzene
CID 145085704

Frequently Asked Questions

What is the IUPAC name of (3E)-1-methoxy-2-methyl-5-phenylmethoxyhexa-3,5-dien-3-ol?
The IUPAC name of (3E)-1-methoxy-2-methyl-5-phenylmethoxyhexa-3,5-dien-3-ol (CID 166726203) is (3E)-1-methoxy-2-methyl-5-phenylmethoxyhexa-3,5-dien-3-ol.
What is the SMILES notation for (3E)-1-methoxy-2-methyl-5-phenylmethoxyhexa-3,5-dien-3-ol?
The canonical SMILES for (3E)-1-methoxy-2-methyl-5-phenylmethoxyhexa-3,5-dien-3-ol is C=C(/C=C(/O)C(C)COC)OCc1ccccc1.
What is the InChIKey of (3E)-1-methoxy-2-methyl-5-phenylmethoxyhexa-3,5-dien-3-ol?
The InChIKey is UGSWIDLIVMKOMU-OQLLNIDSSA-N. The full InChI is InChI=1S/C15H20O3/c1-12(10-17-3)15(16)9-13(2)18-11-14-7-5-4-6-8-14/h4-9,12,16H,2,10-11H2,1,3H3/b15-9+.
What are the key properties of (3E)-1-methoxy-2-methyl-5-phenylmethoxyhexa-3,5-dien-3-ol?
(3E)-1-methoxy-2-methyl-5-phenylmethoxyhexa-3,5-dien-3-ol has a molecular weight of 248.32 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-methoxy-2-methyl-5-phenylmethoxyhexa-3,5-dien-3-ol is sourced from PubChem (CID 166726203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).