2H-chromene;gold

C9H8AuO — CID 87399777

IUPAC2H-chromene;gold
SMILESC1=Cc2ccccc2OC1.[Au]
InChIInChI=1S/C9H8O.Au/c1-2-6-9-8(4-1)5-3-7-10-9;/h1-6H,7H2;
InChIKeyWRQMHIAHDFRCRI-UHFFFAOYSA-N
MW329.13 g/mol
LogP2.09
Rot. Bonds

About 2H-chromene;gold

2H-chromene;gold (PubChem CID 87399777) has the molecular formula C9H8AuO and a molecular weight of 329.13 g/mol. Its IUPAC name is 2H-chromene;gold.

Molecular Properties

Compound Name2H-chromene;gold
PubChem CID87399777
Molecular FormulaC9H8AuO
Molecular Weight329.13 g/mol
Exact Mass329.02
IUPAC Name2H-chromene;gold
SMILESC1=Cc2ccccc2OC1.[Au]
InChIInChI=1S/C9H8O.Au/c1-2-6-9-8(4-1)5-3-7-10-9;/h1-6H,7H2;
InChIKeyWRQMHIAHDFRCRI-UHFFFAOYSA-N
XLogP2.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.13
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Mephenesin
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Monobenzone
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O-Methoxycinnamaldehyde, (E)-
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4-Methylanisole
CID 7731
Xanthene
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3-Methoxytoluene
CID 7530
cis-Anethole
CID 1549040
4-Propylanisole
CID 7702
2-Methylanisole
CID 33637

Frequently Asked Questions

What is the IUPAC name of 2H-chromene;gold?
The IUPAC name of 2H-chromene;gold (CID 87399777) is 2H-chromene;gold.
What is the SMILES notation for 2H-chromene;gold?
The canonical SMILES for 2H-chromene;gold is C1=Cc2ccccc2OC1.[Au].
What is the InChIKey of 2H-chromene;gold?
The InChIKey is WRQMHIAHDFRCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O.Au/c1-2-6-9-8(4-1)5-3-7-10-9;/h1-6H,7H2;.
What are the key properties of 2H-chromene;gold?
2H-chromene;gold has a molecular weight of 329.13 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-chromene;gold is sourced from PubChem (CID 87399777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).