7-ethenyl-8-(1-hydroxynaphthalen-2-yl)-2,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione

C24H22O3 — CID 3428452

IUPAC7-ethenyl-8-(1-hydroxynaphthalen-2-yl)-2,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione
SMILESC=CC1=CCC2C(=O)C=C(C)C(=O)C2(C)C1c1ccc2ccccc2c1O
InChIInChI=1S/C24H22O3/c1-4-15-10-12-19-20(25)13-14(2)23(27)24(19,3)21(15)18-11-9-16-7-5-6-8-17(16)22(18)26/h4-11,13,19,21,26H,1,12H2,2-3H3
InChIKeyXIFAALBUUCEEHF-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.87
Rot. Bonds2

About 7-ethenyl-8-(1-hydroxynaphthalen-2-yl)-2,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione

7-ethenyl-8-(1-hydroxynaphthalen-2-yl)-2,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione (PubChem CID 3428452) has the molecular formula C24H22O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 7-ethenyl-8-(1-hydroxynaphthalen-2-yl)-2,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione.

Molecular Properties

Compound Name7-ethenyl-8-(1-hydroxynaphthalen-2-yl)-2,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione
PubChem CID3428452
Molecular FormulaC24H22O3
Molecular Weight358.44 g/mol
Exact Mass358.16
IUPAC Name7-ethenyl-8-(1-hydroxynaphthalen-2-yl)-2,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione
SMILESC=CC1=CCC2C(=O)C=C(C)C(=O)C2(C)C1c1ccc2ccccc2c1O
InChIInChI=1S/C24H22O3/c1-4-15-10-12-19-20(25)13-14(2)23(27)24(19,3)21(15)18-11-9-16-7-5-6-8-17(16)22(18)26/h4-11,13,19,21,26H,1,12H2,2-3H3
InChIKeyXIFAALBUUCEEHF-UHFFFAOYSA-N
XLogP4.87
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-ethenyl-8-(1-hydroxynaphthalen-2-yl)-2,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione?
The IUPAC name of 7-ethenyl-8-(1-hydroxynaphthalen-2-yl)-2,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione (CID 3428452) is 7-ethenyl-8-(1-hydroxynaphthalen-2-yl)-2,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione.
What is the SMILES notation for 7-ethenyl-8-(1-hydroxynaphthalen-2-yl)-2,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione?
The canonical SMILES for 7-ethenyl-8-(1-hydroxynaphthalen-2-yl)-2,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione is C=CC1=CCC2C(=O)C=C(C)C(=O)C2(C)C1c1ccc2ccccc2c1O.
What is the InChIKey of 7-ethenyl-8-(1-hydroxynaphthalen-2-yl)-2,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione?
The InChIKey is XIFAALBUUCEEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O3/c1-4-15-10-12-19-20(25)13-14(2)23(27)24(19,3)21(15)18-11-9-16-7-5-6-8-17(16)22(18)26/h4-11,13,19,21,26H,1,12H2,2-3H3.
What are the key properties of 7-ethenyl-8-(1-hydroxynaphthalen-2-yl)-2,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione?
7-ethenyl-8-(1-hydroxynaphthalen-2-yl)-2,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione has a molecular weight of 358.44 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-8-(1-hydroxynaphthalen-2-yl)-2,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione is sourced from PubChem (CID 3428452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).