[2-(3-propoxyphenoxy)phenyl] 3-methoxyprop-2-enoate

C19H20O5 — CID 67278932

IUPAC[2-(3-propoxyphenoxy)phenyl] 3-methoxyprop-2-enoate
SMILESCCCOc1cccc(Oc2ccccc2OC(=O)C=COC)c1
InChIInChI=1S/C19H20O5/c1-3-12-22-15-7-6-8-16(14-15)23-17-9-4-5-10-18(17)24-19(20)11-13-21-2/h4-11,13-14H,3,12H2,1-2H3
InChIKeyFIICWZUIXZDZNC-UHFFFAOYSA-N
MW328.36 g/mol
LogP4.33
Rot. Bonds8

About [2-(3-propoxyphenoxy)phenyl] 3-methoxyprop-2-enoate

[2-(3-propoxyphenoxy)phenyl] 3-methoxyprop-2-enoate (PubChem CID 67278932) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is [2-(3-propoxyphenoxy)phenyl] 3-methoxyprop-2-enoate.

Molecular Properties

Compound Name[2-(3-propoxyphenoxy)phenyl] 3-methoxyprop-2-enoate
PubChem CID67278932
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Name[2-(3-propoxyphenoxy)phenyl] 3-methoxyprop-2-enoate
SMILESCCCOc1cccc(Oc2ccccc2OC(=O)C=COC)c1
InChIInChI=1S/C19H20O5/c1-3-12-22-15-7-6-8-16(14-15)23-17-9-4-5-10-18(17)24-19(20)11-13-21-2/h4-11,13-14H,3,12H2,1-2H3
InChIKeyFIICWZUIXZDZNC-UHFFFAOYSA-N
XLogP4.33
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-methylphenyl) 3-methoxyprop-2-enoate
CID 57171911
[2-(3-methylphenoxy)phenyl] 2-methoxyiminoacetate
CID 54120371
phenyl 3-butoxyprop-2-enoate
CID 67200074
4-(3-methylphenoxy)-N-(2-propoxyphenyl)butanamide
CID 112793578
2-(3-propoxyphenoxy)acetaldehyde
CID 158555885
2-(3-propoxybenzoyl)oxybenzoic acid
CID 54854800
methyl (E)-3-methoxy-2-[2-(3-pyrimidin-2-yloxyphenoxy)phenoxy]prop-2-enoate
CID 69019717
N-methyl-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide
CID 8989199
propyl 3-(3-butoxyphenyl)prop-2-enoate
CID 130331772
N-[[2-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]benzamide
CID 3660325
3-propoxybenzamide
CID 22311435
(2-methylphenyl) 3-butoxybenzoate
CID 23012315

Frequently Asked Questions

What is the IUPAC name of [2-(3-propoxyphenoxy)phenyl] 3-methoxyprop-2-enoate?
The IUPAC name of [2-(3-propoxyphenoxy)phenyl] 3-methoxyprop-2-enoate (CID 67278932) is [2-(3-propoxyphenoxy)phenyl] 3-methoxyprop-2-enoate.
What is the SMILES notation for [2-(3-propoxyphenoxy)phenyl] 3-methoxyprop-2-enoate?
The canonical SMILES for [2-(3-propoxyphenoxy)phenyl] 3-methoxyprop-2-enoate is CCCOc1cccc(Oc2ccccc2OC(=O)C=COC)c1.
What is the InChIKey of [2-(3-propoxyphenoxy)phenyl] 3-methoxyprop-2-enoate?
The InChIKey is FIICWZUIXZDZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O5/c1-3-12-22-15-7-6-8-16(14-15)23-17-9-4-5-10-18(17)24-19(20)11-13-21-2/h4-11,13-14H,3,12H2,1-2H3.
What are the key properties of [2-(3-propoxyphenoxy)phenyl] 3-methoxyprop-2-enoate?
[2-(3-propoxyphenoxy)phenyl] 3-methoxyprop-2-enoate has a molecular weight of 328.36 g/mol, XLogP of 4.33, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-propoxyphenoxy)phenyl] 3-methoxyprop-2-enoate is sourced from PubChem (CID 67278932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).