(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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Related Compounds

4-[(2-phenyl-3H-inden-5-yl)oxy]butyl prop-2-enoate
CID 155221904
(3-hydroxy-4-phenylphenyl) prop-2-enoate
CID 175065018
3-[(6-phenyl-7,8-dihydronaphthalen-2-yl)oxy]propyl 2,3-diaminopropanoate
CID 155222302
(10-oxo-9H-thioxanthen-3-yl) prop-2-enoate
CID 68788509
(4-phenylperoxyphenyl) prop-2-enoate
CID 163991970
[4-[4-(4-phenyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]phenyl] prop-2-enoate
CID 22089914
oxirane;phenyl prop-2-enoate
CID 87443709
6-prop-2-enoyloxynaphthalene-2-carboxylic acid;hydrochloride
CID 66781745
phenyl prop-2-enoate;triphenylene
CID 159225619
3-[(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-yl)oxy]propyl 2,3-diaminopropanoate
CID 155221970
3-(3-hydroxyphenyl)phenol;[3-(3-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate
CID 160578050
[3-(2,6-diphenylpyrimidin-4-yl)phenyl] prop-2-enoate
CID 175448130

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).