ethane;(4Z)-5-methoxy-2-methyl-7-phenylmethoxyhepta-2,4-dien-3-ol

C18H28O3 — CID 144605307

IUPACethane;(4Z)-5-methoxy-2-methyl-7-phenylmethoxyhepta-2,4-dien-3-ol
SMILESCC.CO/C(=C\C(O)=C(C)C)CCOCc1ccccc1
InChIInChI=1S/C16H22O3.C2H6/c1-13(2)16(17)11-15(18-3)9-10-19-12-14-7-5-4-6-8-14;1-2/h4-8,11,17H,9-10,12H2,1-3H3;1-2H3/b15-11-;
InChIKeyGYWZLDIOMIAIBJ-PNCOJPCNSA-N
MW292.42 g/mol
LogP5.00
Rot. Bonds7

About ethane;(4Z)-5-methoxy-2-methyl-7-phenylmethoxyhepta-2,4-dien-3-ol

ethane;(4Z)-5-methoxy-2-methyl-7-phenylmethoxyhepta-2,4-dien-3-ol (PubChem CID 144605307) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is ethane;(4Z)-5-methoxy-2-methyl-7-phenylmethoxyhepta-2,4-dien-3-ol.

Molecular Properties

Compound Nameethane;(4Z)-5-methoxy-2-methyl-7-phenylmethoxyhepta-2,4-dien-3-ol
PubChem CID144605307
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Nameethane;(4Z)-5-methoxy-2-methyl-7-phenylmethoxyhepta-2,4-dien-3-ol
SMILESCC.CO/C(=C\C(O)=C(C)C)CCOCc1ccccc1
InChIInChI=1S/C16H22O3.C2H6/c1-13(2)16(17)11-15(18-3)9-10-19-12-14-7-5-4-6-8-14;1-2/h4-8,11,17H,9-10,12H2,1-3H3;1-2H3/b15-11-;
InChIKeyGYWZLDIOMIAIBJ-PNCOJPCNSA-N
XLogP5.00
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.42
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-5-methoxy-2-methyl-7-phenylmethoxyhepta-2,4-dien-3-ol
CID 144605308
(E)-3-methyl-5-phenylmethoxypent-2-enoic acid
CID 101149909
ethane;phenylmethoxymethylbenzene
CID 90943549
(Z)-5-hydroxy-1-phenylmethoxyhept-4-en-3-one
CID 58700020
N-hydroxy-3-phenylmethoxypropanamide
CID 59082883
1-phenylmethoxyhexane-3,4-dione
CID 561127
2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635
ethane;2-phenylmethoxyethanamine
CID 142016503
3-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]propanoic acid
CID 14462373
[(Z)-pent-3-enoxy]methylbenzene
CID 13428364
3-[2-(2-phenylmethoxyethoxy)ethoxy]propanoic acid
CID 14462372
methyl 8-phenylmethoxyoctanoate
CID 562206

Frequently Asked Questions

What is the IUPAC name of ethane;(4Z)-5-methoxy-2-methyl-7-phenylmethoxyhepta-2,4-dien-3-ol?
The IUPAC name of ethane;(4Z)-5-methoxy-2-methyl-7-phenylmethoxyhepta-2,4-dien-3-ol (CID 144605307) is ethane;(4Z)-5-methoxy-2-methyl-7-phenylmethoxyhepta-2,4-dien-3-ol.
What is the SMILES notation for ethane;(4Z)-5-methoxy-2-methyl-7-phenylmethoxyhepta-2,4-dien-3-ol?
The canonical SMILES for ethane;(4Z)-5-methoxy-2-methyl-7-phenylmethoxyhepta-2,4-dien-3-ol is CC.CO/C(=C\C(O)=C(C)C)CCOCc1ccccc1.
What is the InChIKey of ethane;(4Z)-5-methoxy-2-methyl-7-phenylmethoxyhepta-2,4-dien-3-ol?
The InChIKey is GYWZLDIOMIAIBJ-PNCOJPCNSA-N. The full InChI is InChI=1S/C16H22O3.C2H6/c1-13(2)16(17)11-15(18-3)9-10-19-12-14-7-5-4-6-8-14;1-2/h4-8,11,17H,9-10,12H2,1-3H3;1-2H3/b15-11-;.
What are the key properties of ethane;(4Z)-5-methoxy-2-methyl-7-phenylmethoxyhepta-2,4-dien-3-ol?
ethane;(4Z)-5-methoxy-2-methyl-7-phenylmethoxyhepta-2,4-dien-3-ol has a molecular weight of 292.42 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4Z)-5-methoxy-2-methyl-7-phenylmethoxyhepta-2,4-dien-3-ol is sourced from PubChem (CID 144605307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).