methyl 4-hexa-4,5-dienoxy-2-hydroxy-3-methoxybenzoate

C15H18O5 — CID 164678705

IUPACmethyl 4-hexa-4,5-dienoxy-2-hydroxy-3-methoxybenzoate
SMILESC=C=CCCCOc1ccc(C(=O)OC)c(O)c1OC
InChIInChI=1S/C15H18O5/c1-4-5-6-7-10-20-12-9-8-11(15(17)19-3)13(16)14(12)18-2/h5,8-9,16H,1,6-7,10H2,2-3H3
InChIKeyKIOFOBLLICMMOR-UHFFFAOYSA-N
MW278.30 g/mol
LogP2.69
Rot. Bonds7

About methyl 4-hexa-4,5-dienoxy-2-hydroxy-3-methoxybenzoate

methyl 4-hexa-4,5-dienoxy-2-hydroxy-3-methoxybenzoate (PubChem CID 164678705) has the molecular formula C15H18O5 and a molecular weight of 278.30 g/mol. Its IUPAC name is methyl 4-hexa-4,5-dienoxy-2-hydroxy-3-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-hexa-4,5-dienoxy-2-hydroxy-3-methoxybenzoate
PubChem CID164678705
Molecular FormulaC15H18O5
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Namemethyl 4-hexa-4,5-dienoxy-2-hydroxy-3-methoxybenzoate
SMILESC=C=CCCCOc1ccc(C(=O)OC)c(O)c1OC
InChIInChI=1S/C15H18O5/c1-4-5-6-7-10-20-12-9-8-11(15(17)19-3)13(16)14(12)18-2/h5,8-9,16H,1,6-7,10H2,2-3H3
InChIKeyKIOFOBLLICMMOR-UHFFFAOYSA-N
XLogP2.69
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 3,4-dibutoxy-2-hydroxybenzoate
CID 122417744
methyl 4-butoxy-2-(cyanomethyl)-3-methoxybenzoate
CID 162701408
methyl 2,3-dihydroxy-4-methoxybenzoate
CID 11694090
dimethyl 2,3-dihydroxybenzene-1,4-dicarboxylate;ethane
CID 143693059
dimethyl 2,3-dimethoxybenzene-1,4-dicarboxylate
CID 10682339
methyl 3-ethoxy-2-methoxybenzoate
CID 82161720
3-(2-hydroxy-3,4-dimethoxyphenyl)-3-oxopropanal
CID 91299135
methyl 2-hydroxy-4-methoxy-3-propylbenzoate
CID 14719500
methyl 2-hydroxy-3-[2-[2-[2-(2-hydroxy-3-methoxycarbonylphenoxy)ethoxy]ethoxy]ethoxy]benzoate
CID 100926239
dimethyl 3,4-dimethoxybenzene-1,2-dicarboxylate
CID 16637829
methyl 2-but-3-enoxy-5-methylbenzoate
CID 90317571
(E)-3-(dimethylamino)-1-[2-hydroxy-3-methoxy-4-(methoxymethoxy)phenyl]prop-2-en-1-one
CID 176889406

Frequently Asked Questions

What is the IUPAC name of methyl 4-hexa-4,5-dienoxy-2-hydroxy-3-methoxybenzoate?
The IUPAC name of methyl 4-hexa-4,5-dienoxy-2-hydroxy-3-methoxybenzoate (CID 164678705) is methyl 4-hexa-4,5-dienoxy-2-hydroxy-3-methoxybenzoate.
What is the SMILES notation for methyl 4-hexa-4,5-dienoxy-2-hydroxy-3-methoxybenzoate?
The canonical SMILES for methyl 4-hexa-4,5-dienoxy-2-hydroxy-3-methoxybenzoate is C=C=CCCCOc1ccc(C(=O)OC)c(O)c1OC.
What is the InChIKey of methyl 4-hexa-4,5-dienoxy-2-hydroxy-3-methoxybenzoate?
The InChIKey is KIOFOBLLICMMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O5/c1-4-5-6-7-10-20-12-9-8-11(15(17)19-3)13(16)14(12)18-2/h5,8-9,16H,1,6-7,10H2,2-3H3.
What are the key properties of methyl 4-hexa-4,5-dienoxy-2-hydroxy-3-methoxybenzoate?
methyl 4-hexa-4,5-dienoxy-2-hydroxy-3-methoxybenzoate has a molecular weight of 278.30 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hexa-4,5-dienoxy-2-hydroxy-3-methoxybenzoate is sourced from PubChem (CID 164678705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).