(2-ethyl-4-methoxynaphthalen-1-yl) prop-2-enoate

C16H16O3 — CID 163406566

IUPAC(2-ethyl-4-methoxynaphthalen-1-yl) prop-2-enoate
SMILESC=CC(=O)Oc1c(CC)cc(OC)c2ccccc12
InChIInChI=1S/C16H16O3/c1-4-11-10-14(18-3)12-8-6-7-9-13(12)16(11)19-15(17)5-2/h5-10H,2,4H2,1,3H3
InChIKeyKRTBRWBMUMOMFG-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.50
Rot. Bonds4

About (2-ethyl-4-methoxynaphthalen-1-yl) prop-2-enoate

(2-ethyl-4-methoxynaphthalen-1-yl) prop-2-enoate (PubChem CID 163406566) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is (2-ethyl-4-methoxynaphthalen-1-yl) prop-2-enoate.

Molecular Properties

Compound Name(2-ethyl-4-methoxynaphthalen-1-yl) prop-2-enoate
PubChem CID163406566
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name(2-ethyl-4-methoxynaphthalen-1-yl) prop-2-enoate
SMILESC=CC(=O)Oc1c(CC)cc(OC)c2ccccc12
InChIInChI=1S/C16H16O3/c1-4-11-10-14(18-3)12-8-6-7-9-13(12)16(11)19-15(17)5-2/h5-10H,2,4H2,1,3H3
InChIKeyKRTBRWBMUMOMFG-UHFFFAOYSA-N
XLogP3.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-ethyl-4-methoxynaphthalen-1-yl) prop-2-enoate?
The IUPAC name of (2-ethyl-4-methoxynaphthalen-1-yl) prop-2-enoate (CID 163406566) is (2-ethyl-4-methoxynaphthalen-1-yl) prop-2-enoate.
What is the SMILES notation for (2-ethyl-4-methoxynaphthalen-1-yl) prop-2-enoate?
The canonical SMILES for (2-ethyl-4-methoxynaphthalen-1-yl) prop-2-enoate is C=CC(=O)Oc1c(CC)cc(OC)c2ccccc12.
What is the InChIKey of (2-ethyl-4-methoxynaphthalen-1-yl) prop-2-enoate?
The InChIKey is KRTBRWBMUMOMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-4-11-10-14(18-3)12-8-6-7-9-13(12)16(11)19-15(17)5-2/h5-10H,2,4H2,1,3H3.
What are the key properties of (2-ethyl-4-methoxynaphthalen-1-yl) prop-2-enoate?
(2-ethyl-4-methoxynaphthalen-1-yl) prop-2-enoate has a molecular weight of 256.30 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-4-methoxynaphthalen-1-yl) prop-2-enoate is sourced from PubChem (CID 163406566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).