(2,4-dimethoxy-6-methylnaphthalen-1-yl) prop-2-enoate

C16H16O4 — CID 163406495

IUPAC(2,4-dimethoxy-6-methylnaphthalen-1-yl) prop-2-enoate
SMILESC=CC(=O)Oc1c(OC)cc(OC)c2cc(C)ccc12
InChIInChI=1S/C16H16O4/c1-5-15(17)20-16-11-7-6-10(2)8-12(11)13(18-3)9-14(16)19-4/h5-9H,1H2,2-4H3
InChIKeyOYIPPIRRXVLIGI-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.26
Rot. Bonds4

About (2,4-dimethoxy-6-methylnaphthalen-1-yl) prop-2-enoate

(2,4-dimethoxy-6-methylnaphthalen-1-yl) prop-2-enoate (PubChem CID 163406495) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is (2,4-dimethoxy-6-methylnaphthalen-1-yl) prop-2-enoate.

Molecular Properties

Compound Name(2,4-dimethoxy-6-methylnaphthalen-1-yl) prop-2-enoate
PubChem CID163406495
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name(2,4-dimethoxy-6-methylnaphthalen-1-yl) prop-2-enoate
SMILESC=CC(=O)Oc1c(OC)cc(OC)c2cc(C)ccc12
InChIInChI=1S/C16H16O4/c1-5-15(17)20-16-11-7-6-10(2)8-12(11)13(18-3)9-14(16)19-4/h5-9H,1H2,2-4H3
InChIKeyOYIPPIRRXVLIGI-UHFFFAOYSA-N
XLogP3.26
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxy-6-methylnaphthalen-1-yl) prop-2-enoate?
The IUPAC name of (2,4-dimethoxy-6-methylnaphthalen-1-yl) prop-2-enoate (CID 163406495) is (2,4-dimethoxy-6-methylnaphthalen-1-yl) prop-2-enoate.
What is the SMILES notation for (2,4-dimethoxy-6-methylnaphthalen-1-yl) prop-2-enoate?
The canonical SMILES for (2,4-dimethoxy-6-methylnaphthalen-1-yl) prop-2-enoate is C=CC(=O)Oc1c(OC)cc(OC)c2cc(C)ccc12.
What is the InChIKey of (2,4-dimethoxy-6-methylnaphthalen-1-yl) prop-2-enoate?
The InChIKey is OYIPPIRRXVLIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-5-15(17)20-16-11-7-6-10(2)8-12(11)13(18-3)9-14(16)19-4/h5-9H,1H2,2-4H3.
What are the key properties of (2,4-dimethoxy-6-methylnaphthalen-1-yl) prop-2-enoate?
(2,4-dimethoxy-6-methylnaphthalen-1-yl) prop-2-enoate has a molecular weight of 272.30 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxy-6-methylnaphthalen-1-yl) prop-2-enoate is sourced from PubChem (CID 163406495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).