5,6,7,8-tetrahydronaphthalen-2-yl (E)-3-(4-propan-2-ylphenyl)prop-2-enoate

C22H24O2 — CID 110493699

IUPAC5,6,7,8-tetrahydronaphthalen-2-yl (E)-3-(4-propan-2-ylphenyl)prop-2-enoate
SMILESCC(C)c1ccc(/C=C/C(=O)Oc2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C22H24O2/c1-16(2)18-10-7-17(8-11-18)9-14-22(23)24-21-13-12-19-5-3-4-6-20(19)15-21/h7-16H,3-6H2,1-2H3/b14-9+
InChIKeyHWDBXGBHDJLXTL-NTEUORMPSA-N
MW320.43 g/mol
LogP5.31
Rot. Bonds4

About 5,6,7,8-tetrahydronaphthalen-2-yl (E)-3-(4-propan-2-ylphenyl)prop-2-enoate

5,6,7,8-tetrahydronaphthalen-2-yl (E)-3-(4-propan-2-ylphenyl)prop-2-enoate (PubChem CID 110493699) has the molecular formula C22H24O2 and a molecular weight of 320.43 g/mol. Its IUPAC name is 5,6,7,8-tetrahydronaphthalen-2-yl (E)-3-(4-propan-2-ylphenyl)prop-2-enoate.

Molecular Properties

Compound Name5,6,7,8-tetrahydronaphthalen-2-yl (E)-3-(4-propan-2-ylphenyl)prop-2-enoate
PubChem CID110493699
Molecular FormulaC22H24O2
Molecular Weight320.43 g/mol
Exact Mass320.18
IUPAC Name5,6,7,8-tetrahydronaphthalen-2-yl (E)-3-(4-propan-2-ylphenyl)prop-2-enoate
SMILESCC(C)c1ccc(/C=C/C(=O)Oc2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C22H24O2/c1-16(2)18-10-7-17(8-11-18)9-14-22(23)24-21-13-12-19-5-3-4-6-20(19)15-21/h7-16H,3-6H2,1-2H3/b14-9+
InChIKeyHWDBXGBHDJLXTL-NTEUORMPSA-N
XLogP5.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.43
LogP ≤ 55.31
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'}

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Related Compounds

(4-acetylphenyl) (E)-3-(4-propan-2-ylphenyl)prop-2-enoate
CID 19181737
(2-methyl-1,3-benzoxazol-6-yl) (E)-3-(4-propan-2-ylphenyl)prop-2-enoate
CID 110494474
methyl (Z)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-enoate
CID 92532886
[4-(2-methoxy-2-oxoethyl)phenyl] (E)-3-(4-propan-2-ylphenyl)prop-2-enoate
CID 16551418
(4-propan-2-ylphenyl) (E)-3-(3,4-diacetyloxyphenyl)prop-2-enoate
CID 161158974
propan-2-yl 3-(4-propan-2-ylphenyl)prop-2-enoate
CID 67541560
[4-(1,3,4-oxadiazol-2-yl)phenyl] (E)-3-(4-propan-2-ylphenyl)prop-2-enoate
CID 16551636
2,3-dihydro-1H-inden-5-yl N-propan-2-ylcarbamate
CID 127549123
[4-[(4-chlorophenyl)carbamoyl]phenyl] (E)-3-(4-propan-2-ylphenyl)prop-2-enoate
CID 19181742
[(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate
CID 7486073
2,3-dihydro-1H-inden-5-yl 2-amino-3-methylbutanoate
CID 82116252
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 7861093

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydronaphthalen-2-yl (E)-3-(4-propan-2-ylphenyl)prop-2-enoate?
The IUPAC name of 5,6,7,8-tetrahydronaphthalen-2-yl (E)-3-(4-propan-2-ylphenyl)prop-2-enoate (CID 110493699) is 5,6,7,8-tetrahydronaphthalen-2-yl (E)-3-(4-propan-2-ylphenyl)prop-2-enoate.
What is the SMILES notation for 5,6,7,8-tetrahydronaphthalen-2-yl (E)-3-(4-propan-2-ylphenyl)prop-2-enoate?
The canonical SMILES for 5,6,7,8-tetrahydronaphthalen-2-yl (E)-3-(4-propan-2-ylphenyl)prop-2-enoate is CC(C)c1ccc(/C=C/C(=O)Oc2ccc3c(c2)CCCC3)cc1.
What is the InChIKey of 5,6,7,8-tetrahydronaphthalen-2-yl (E)-3-(4-propan-2-ylphenyl)prop-2-enoate?
The InChIKey is HWDBXGBHDJLXTL-NTEUORMPSA-N. The full InChI is InChI=1S/C22H24O2/c1-16(2)18-10-7-17(8-11-18)9-14-22(23)24-21-13-12-19-5-3-4-6-20(19)15-21/h7-16H,3-6H2,1-2H3/b14-9+.
What are the key properties of 5,6,7,8-tetrahydronaphthalen-2-yl (E)-3-(4-propan-2-ylphenyl)prop-2-enoate?
5,6,7,8-tetrahydronaphthalen-2-yl (E)-3-(4-propan-2-ylphenyl)prop-2-enoate has a molecular weight of 320.43 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydronaphthalen-2-yl (E)-3-(4-propan-2-ylphenyl)prop-2-enoate is sourced from PubChem (CID 110493699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).