(1-benzyl-1-hydroxy-2H-naphthalen-2-yl) prop-2-enoate

C20H18O3 — CID 149436808

IUPAC(1-benzyl-1-hydroxy-2H-naphthalen-2-yl) prop-2-enoate
SMILESC=CC(=O)OC1C=Cc2ccccc2C1(O)Cc1ccccc1
InChIInChI=1S/C20H18O3/c1-2-19(21)23-18-13-12-16-10-6-7-11-17(16)20(18,22)14-15-8-4-3-5-9-15/h2-13,18,22H,1,14H2
InChIKeyGWVXWZIGMNRBEZ-UHFFFAOYSA-N
MW306.36 g/mol
LogP3.24
Rot. Bonds4

About (1-benzyl-1-hydroxy-2H-naphthalen-2-yl) prop-2-enoate

(1-benzyl-1-hydroxy-2H-naphthalen-2-yl) prop-2-enoate (PubChem CID 149436808) has the molecular formula C20H18O3 and a molecular weight of 306.36 g/mol. Its IUPAC name is (1-benzyl-1-hydroxy-2H-naphthalen-2-yl) prop-2-enoate.

Molecular Properties

Compound Name(1-benzyl-1-hydroxy-2H-naphthalen-2-yl) prop-2-enoate
PubChem CID149436808
Molecular FormulaC20H18O3
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Name(1-benzyl-1-hydroxy-2H-naphthalen-2-yl) prop-2-enoate
SMILESC=CC(=O)OC1C=Cc2ccccc2C1(O)Cc1ccccc1
InChIInChI=1S/C20H18O3/c1-2-19(21)23-18-13-12-16-10-6-7-11-17(16)20(18,22)14-15-8-4-3-5-9-15/h2-13,18,22H,1,14H2
InChIKeyGWVXWZIGMNRBEZ-UHFFFAOYSA-N
XLogP3.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-benzyl-1-hydroxy-2H-naphthalen-2-yl) prop-2-enoate?
The IUPAC name of (1-benzyl-1-hydroxy-2H-naphthalen-2-yl) prop-2-enoate (CID 149436808) is (1-benzyl-1-hydroxy-2H-naphthalen-2-yl) prop-2-enoate.
What is the SMILES notation for (1-benzyl-1-hydroxy-2H-naphthalen-2-yl) prop-2-enoate?
The canonical SMILES for (1-benzyl-1-hydroxy-2H-naphthalen-2-yl) prop-2-enoate is C=CC(=O)OC1C=Cc2ccccc2C1(O)Cc1ccccc1.
What is the InChIKey of (1-benzyl-1-hydroxy-2H-naphthalen-2-yl) prop-2-enoate?
The InChIKey is GWVXWZIGMNRBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O3/c1-2-19(21)23-18-13-12-16-10-6-7-11-17(16)20(18,22)14-15-8-4-3-5-9-15/h2-13,18,22H,1,14H2.
What are the key properties of (1-benzyl-1-hydroxy-2H-naphthalen-2-yl) prop-2-enoate?
(1-benzyl-1-hydroxy-2H-naphthalen-2-yl) prop-2-enoate has a molecular weight of 306.36 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-1-hydroxy-2H-naphthalen-2-yl) prop-2-enoate is sourced from PubChem (CID 149436808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).