(6-phenyl-7,8-dihydronaphthalen-2-yl) prop-2-enoate

C19H16O2 — CID 155221961

IUPAC(6-phenyl-7,8-dihydronaphthalen-2-yl) prop-2-enoate
SMILESC=CC(=O)Oc1ccc2c(c1)CCC(c1ccccc1)=C2
InChIInChI=1S/C19H16O2/c1-2-19(20)21-18-11-10-16-12-15(8-9-17(16)13-18)14-6-4-3-5-7-14/h2-7,10-13H,1,8-9H2
InChIKeyOEQDMSZMAAQTQU-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.26
Rot. Bonds3

About (6-phenyl-7,8-dihydronaphthalen-2-yl) prop-2-enoate

(6-phenyl-7,8-dihydronaphthalen-2-yl) prop-2-enoate (PubChem CID 155221961) has the molecular formula C19H16O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is (6-phenyl-7,8-dihydronaphthalen-2-yl) prop-2-enoate.

Molecular Properties

Compound Name(6-phenyl-7,8-dihydronaphthalen-2-yl) prop-2-enoate
PubChem CID155221961
Molecular FormulaC19H16O2
Molecular Weight276.34 g/mol
Exact Mass276.12
IUPAC Name(6-phenyl-7,8-dihydronaphthalen-2-yl) prop-2-enoate
SMILESC=CC(=O)Oc1ccc2c(c1)CCC(c1ccccc1)=C2
InChIInChI=1S/C19H16O2/c1-2-19(20)21-18-11-10-16-12-15(8-9-17(16)13-18)14-6-4-3-5-7-14/h2-7,10-13H,1,8-9H2
InChIKeyOEQDMSZMAAQTQU-UHFFFAOYSA-N
XLogP4.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-phenyl-7,8-dihydronaphthalen-2-yl) prop-2-enoate?
The IUPAC name of (6-phenyl-7,8-dihydronaphthalen-2-yl) prop-2-enoate (CID 155221961) is (6-phenyl-7,8-dihydronaphthalen-2-yl) prop-2-enoate.
What is the SMILES notation for (6-phenyl-7,8-dihydronaphthalen-2-yl) prop-2-enoate?
The canonical SMILES for (6-phenyl-7,8-dihydronaphthalen-2-yl) prop-2-enoate is C=CC(=O)Oc1ccc2c(c1)CCC(c1ccccc1)=C2.
What is the InChIKey of (6-phenyl-7,8-dihydronaphthalen-2-yl) prop-2-enoate?
The InChIKey is OEQDMSZMAAQTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O2/c1-2-19(20)21-18-11-10-16-12-15(8-9-17(16)13-18)14-6-4-3-5-7-14/h2-7,10-13H,1,8-9H2.
What are the key properties of (6-phenyl-7,8-dihydronaphthalen-2-yl) prop-2-enoate?
(6-phenyl-7,8-dihydronaphthalen-2-yl) prop-2-enoate has a molecular weight of 276.34 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-phenyl-7,8-dihydronaphthalen-2-yl) prop-2-enoate is sourced from PubChem (CID 155221961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).