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

C16H22O3 — CID 144605308

IUPAC(4Z)-5-methoxy-2-methyl-7-phenylmethoxyhepta-2,4-dien-3-ol
SMILESCO/C(=C\C(O)=C(C)C)CCOCc1ccccc1
InChIInChI=1S/C16H22O3/c1-13(2)16(17)11-15(18-3)9-10-19-12-14-7-5-4-6-8-14/h4-8,11,17H,9-10,12H2,1-3H3/b15-11-
InChIKeySKKNCSXABSUCMJ-PTNGSMBKSA-N
MW262.35 g/mol
LogP3.98
Rot. Bonds7

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

(4Z)-5-methoxy-2-methyl-7-phenylmethoxyhepta-2,4-dien-3-ol (PubChem CID 144605308) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is (4Z)-5-methoxy-2-methyl-7-phenylmethoxyhepta-2,4-dien-3-ol.

Molecular Properties

Compound Name(4Z)-5-methoxy-2-methyl-7-phenylmethoxyhepta-2,4-dien-3-ol
PubChem CID144605308
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name(4Z)-5-methoxy-2-methyl-7-phenylmethoxyhepta-2,4-dien-3-ol
SMILESCO/C(=C\C(O)=C(C)C)CCOCc1ccccc1
InChIInChI=1S/C16H22O3/c1-13(2)16(17)11-15(18-3)9-10-19-12-14-7-5-4-6-8-14/h4-8,11,17H,9-10,12H2,1-3H3/b15-11-
InChIKeySKKNCSXABSUCMJ-PTNGSMBKSA-N
XLogP3.98
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.98
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

ethane;(4Z)-5-methoxy-2-methyl-7-phenylmethoxyhepta-2,4-dien-3-ol
CID 144605307
(E)-3-methyl-5-phenylmethoxypent-2-enoic acid
CID 101149909
(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
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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
acetic acid;phenylmethoxymethylbenzene
CID 175214238
N-methylmethanamine;phenylmethoxymethylbenzene
CID 70181699

Frequently Asked Questions

What is the IUPAC name of (4Z)-5-methoxy-2-methyl-7-phenylmethoxyhepta-2,4-dien-3-ol?
The IUPAC name of (4Z)-5-methoxy-2-methyl-7-phenylmethoxyhepta-2,4-dien-3-ol (CID 144605308) is (4Z)-5-methoxy-2-methyl-7-phenylmethoxyhepta-2,4-dien-3-ol.
What is the SMILES notation for (4Z)-5-methoxy-2-methyl-7-phenylmethoxyhepta-2,4-dien-3-ol?
The canonical SMILES for (4Z)-5-methoxy-2-methyl-7-phenylmethoxyhepta-2,4-dien-3-ol is CO/C(=C\C(O)=C(C)C)CCOCc1ccccc1.
What is the InChIKey of (4Z)-5-methoxy-2-methyl-7-phenylmethoxyhepta-2,4-dien-3-ol?
The InChIKey is SKKNCSXABSUCMJ-PTNGSMBKSA-N. The full InChI is InChI=1S/C16H22O3/c1-13(2)16(17)11-15(18-3)9-10-19-12-14-7-5-4-6-8-14/h4-8,11,17H,9-10,12H2,1-3H3/b15-11-.
What are the key properties of (4Z)-5-methoxy-2-methyl-7-phenylmethoxyhepta-2,4-dien-3-ol?
(4Z)-5-methoxy-2-methyl-7-phenylmethoxyhepta-2,4-dien-3-ol has a molecular weight of 262.35 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-5-methoxy-2-methyl-7-phenylmethoxyhepta-2,4-dien-3-ol is sourced from PubChem (CID 144605308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).