(4-hydroxynaphthalen-2-yl) (E)-3-(4-methylphenyl)prop-2-enoate

C20H16O3 — CID 15890234

IUPAC(4-hydroxynaphthalen-2-yl) (E)-3-(4-methylphenyl)prop-2-enoate
SMILESCc1ccc(/C=C/C(=O)Oc2cc(O)c3ccccc3c2)cc1
InChIInChI=1S/C20H16O3/c1-14-6-8-15(9-7-14)10-11-20(22)23-17-12-16-4-2-3-5-18(16)19(21)13-17/h2-13,21H,1H3/b11-10+
InChIKeyFJAONCZIZDZLBR-ZHACJKMWSA-N
MW304.35 g/mol
LogP4.47
Rot. Bonds3

About (4-hydroxynaphthalen-2-yl) (E)-3-(4-methylphenyl)prop-2-enoate

(4-hydroxynaphthalen-2-yl) (E)-3-(4-methylphenyl)prop-2-enoate (PubChem CID 15890234) has the molecular formula C20H16O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is (4-hydroxynaphthalen-2-yl) (E)-3-(4-methylphenyl)prop-2-enoate.

Molecular Properties

Compound Name(4-hydroxynaphthalen-2-yl) (E)-3-(4-methylphenyl)prop-2-enoate
PubChem CID15890234
Molecular FormulaC20H16O3
Molecular Weight304.35 g/mol
Exact Mass304.11
IUPAC Name(4-hydroxynaphthalen-2-yl) (E)-3-(4-methylphenyl)prop-2-enoate
SMILESCc1ccc(/C=C/C(=O)Oc2cc(O)c3ccccc3c2)cc1
InChIInChI=1S/C20H16O3/c1-14-6-8-15(9-7-14)10-11-20(22)23-17-12-16-4-2-3-5-18(16)19(21)13-17/h2-13,21H,1H3/b11-10+
InChIKeyFJAONCZIZDZLBR-ZHACJKMWSA-N
XLogP4.47
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.47
H-Bond Donors ≤ 51
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 (4-hydroxynaphthalen-2-yl) (E)-3-(4-methylphenyl)prop-2-enoate?
The IUPAC name of (4-hydroxynaphthalen-2-yl) (E)-3-(4-methylphenyl)prop-2-enoate (CID 15890234) is (4-hydroxynaphthalen-2-yl) (E)-3-(4-methylphenyl)prop-2-enoate.
What is the SMILES notation for (4-hydroxynaphthalen-2-yl) (E)-3-(4-methylphenyl)prop-2-enoate?
The canonical SMILES for (4-hydroxynaphthalen-2-yl) (E)-3-(4-methylphenyl)prop-2-enoate is Cc1ccc(/C=C/C(=O)Oc2cc(O)c3ccccc3c2)cc1.
What is the InChIKey of (4-hydroxynaphthalen-2-yl) (E)-3-(4-methylphenyl)prop-2-enoate?
The InChIKey is FJAONCZIZDZLBR-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H16O3/c1-14-6-8-15(9-7-14)10-11-20(22)23-17-12-16-4-2-3-5-18(16)19(21)13-17/h2-13,21H,1H3/b11-10+.
What are the key properties of (4-hydroxynaphthalen-2-yl) (E)-3-(4-methylphenyl)prop-2-enoate?
(4-hydroxynaphthalen-2-yl) (E)-3-(4-methylphenyl)prop-2-enoate has a molecular weight of 304.35 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxynaphthalen-2-yl) (E)-3-(4-methylphenyl)prop-2-enoate is sourced from PubChem (CID 15890234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).