[4-hydroxy-2-(2-naphthalen-1-yloxyethyl)phenyl] prop-2-enoate

C21H18O4 — CID 91135310

IUPAC[4-hydroxy-2-(2-naphthalen-1-yloxyethyl)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(O)cc1CCOc1cccc2ccccc12
InChIInChI=1S/C21H18O4/c1-2-21(23)25-19-11-10-17(22)14-16(19)12-13-24-20-9-5-7-15-6-3-4-8-18(15)20/h2-11,14,22H,1,12-13H2
InChIKeyACYBJHOUTNKUPB-UHFFFAOYSA-N
MW334.37 g/mol
LogP4.26
Rot. Bonds6

About [4-hydroxy-2-(2-naphthalen-1-yloxyethyl)phenyl] prop-2-enoate

[4-hydroxy-2-(2-naphthalen-1-yloxyethyl)phenyl] prop-2-enoate (PubChem CID 91135310) has the molecular formula C21H18O4 and a molecular weight of 334.37 g/mol. Its IUPAC name is [4-hydroxy-2-(2-naphthalen-1-yloxyethyl)phenyl] prop-2-enoate.

Molecular Properties

Compound Name[4-hydroxy-2-(2-naphthalen-1-yloxyethyl)phenyl] prop-2-enoate
PubChem CID91135310
Molecular FormulaC21H18O4
Molecular Weight334.37 g/mol
Exact Mass334.12
IUPAC Name[4-hydroxy-2-(2-naphthalen-1-yloxyethyl)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(O)cc1CCOc1cccc2ccccc12
InChIInChI=1S/C21H18O4/c1-2-21(23)25-19-11-10-17(22)14-16(19)12-13-24-20-9-5-7-15-6-3-4-8-18(15)20/h2-11,14,22H,1,12-13H2
InChIKeyACYBJHOUTNKUPB-UHFFFAOYSA-N
XLogP4.26
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 54.26
H-Bond Donors ≤ 51
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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Related Compounds

naphthalen-1-yl prop-2-enoate
CID 10192638
6-naphthalen-1-yloxyhex-1-en-3-one
CID 134187093
(4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate
CID 70427728
2-[4-[3-[3-[4-(2-prop-2-enoyloxyethoxy)naphthalen-1-yl]naphthalen-2-yl]naphthalen-2-yl]naphthalen-1-yl]oxyethyl prop-2-enoate
CID 118232952
bis(2-naphthalen-1-yloxyethyl) carbonate
CID 57035339
[3-hydroxy-4-(naphthalen-1-yldiazenyl)naphthalen-2-yl] prop-2-enoate
CID 135847581
2-prop-2-enoyloxynaphthalene-1-sulfonic acid
CID 19032205
4-[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxybutyl prop-2-enoate
CID 22913120
2-naphthalen-1-yloxyethyl acetate
CID 23049663
4-[4-hydroxy-2-(4-prop-2-enoyloxybutoxy)phenoxy]butyl prop-2-enoate
CID 121338867
4-hydroxy-5-naphthalen-1-yloxypent-1-en-3-one
CID 70402211
2-naphthalen-1-yloxyethyl 3-oxopropanoate
CID 23049691

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-2-(2-naphthalen-1-yloxyethyl)phenyl] prop-2-enoate?
The IUPAC name of [4-hydroxy-2-(2-naphthalen-1-yloxyethyl)phenyl] prop-2-enoate (CID 91135310) is [4-hydroxy-2-(2-naphthalen-1-yloxyethyl)phenyl] prop-2-enoate.
What is the SMILES notation for [4-hydroxy-2-(2-naphthalen-1-yloxyethyl)phenyl] prop-2-enoate?
The canonical SMILES for [4-hydroxy-2-(2-naphthalen-1-yloxyethyl)phenyl] prop-2-enoate is C=CC(=O)Oc1ccc(O)cc1CCOc1cccc2ccccc12.
What is the InChIKey of [4-hydroxy-2-(2-naphthalen-1-yloxyethyl)phenyl] prop-2-enoate?
The InChIKey is ACYBJHOUTNKUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O4/c1-2-21(23)25-19-11-10-17(22)14-16(19)12-13-24-20-9-5-7-15-6-3-4-8-18(15)20/h2-11,14,22H,1,12-13H2.
What are the key properties of [4-hydroxy-2-(2-naphthalen-1-yloxyethyl)phenyl] prop-2-enoate?
[4-hydroxy-2-(2-naphthalen-1-yloxyethyl)phenyl] prop-2-enoate has a molecular weight of 334.37 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-2-(2-naphthalen-1-yloxyethyl)phenyl] prop-2-enoate is sourced from PubChem (CID 91135310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).