2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)chromen-4-one;naphthalene

C26H22O2 — CID 174460272

IUPAC2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)chromen-4-one;naphthalene
SMILESCC1=CC(C)=C(c2cc(=O)c3ccccc3o2)C1.c1ccc2ccccc2c1
InChIInChI=1S/C16H14O2.C10H8/c1-10-7-11(2)13(8-10)16-9-14(17)12-5-3-4-6-15(12)18-16;1-2-6-10-8-4-3-7-9(10)5-1/h3-7,9H,8H2,1-2H3;1-8H
InChIKeyBNDCUYDHYRDVKE-UHFFFAOYSA-N
MW366.46 g/mol
LogP6.76
Rot. Bonds1

About 2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)chromen-4-one;naphthalene

2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)chromen-4-one;naphthalene (PubChem CID 174460272) has the molecular formula C26H22O2 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)chromen-4-one;naphthalene.

Molecular Properties

Compound Name2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)chromen-4-one;naphthalene
PubChem CID174460272
Molecular FormulaC26H22O2
Molecular Weight366.46 g/mol
Exact Mass366.16
IUPAC Name2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)chromen-4-one;naphthalene
SMILESCC1=CC(C)=C(c2cc(=O)c3ccccc3o2)C1.c1ccc2ccccc2c1
InChIInChI=1S/C16H14O2.C10H8/c1-10-7-11(2)13(8-10)16-9-14(17)12-5-3-4-6-15(12)18-16;1-2-6-10-8-4-3-7-9(10)5-1/h3-7,9H,8H2,1-2H3;1-8H
InChIKeyBNDCUYDHYRDVKE-UHFFFAOYSA-N
XLogP6.76
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)chromen-4-one;naphthalene?
The IUPAC name of 2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)chromen-4-one;naphthalene (CID 174460272) is 2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)chromen-4-one;naphthalene.
What is the SMILES notation for 2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)chromen-4-one;naphthalene?
The canonical SMILES for 2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)chromen-4-one;naphthalene is CC1=CC(C)=C(c2cc(=O)c3ccccc3o2)C1.c1ccc2ccccc2c1.
What is the InChIKey of 2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)chromen-4-one;naphthalene?
The InChIKey is BNDCUYDHYRDVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2.C10H8/c1-10-7-11(2)13(8-10)16-9-14(17)12-5-3-4-6-15(12)18-16;1-2-6-10-8-4-3-7-9(10)5-1/h3-7,9H,8H2,1-2H3;1-8H.
What are the key properties of 2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)chromen-4-one;naphthalene?
2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)chromen-4-one;naphthalene has a molecular weight of 366.46 g/mol, XLogP of 6.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)chromen-4-one;naphthalene is sourced from PubChem (CID 174460272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).