1-cyclohexyloxy-9H-xanthene

C19H20O2 — CID 151368655

IUPAC1-cyclohexyloxy-9H-xanthene
SMILESc1ccc2c(c1)Cc1c(cccc1OC1CCCCC1)O2
InChIInChI=1S/C19H20O2/c1-2-8-15(9-3-1)20-18-11-6-12-19-16(18)13-14-7-4-5-10-17(14)21-19/h4-7,10-12,15H,1-3,8-9,13H2
InChIKeyOPYRJWWXUXVUQO-UHFFFAOYSA-N
MW280.37 g/mol
LogP5.09
Rot. Bonds2

About 1-cyclohexyloxy-9H-xanthene

1-cyclohexyloxy-9H-xanthene (PubChem CID 151368655) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-cyclohexyloxy-9H-xanthene.

Molecular Properties

Compound Name1-cyclohexyloxy-9H-xanthene
PubChem CID151368655
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name1-cyclohexyloxy-9H-xanthene
SMILESc1ccc2c(c1)Cc1c(cccc1OC1CCCCC1)O2
InChIInChI=1S/C19H20O2/c1-2-8-15(9-3-1)20-18-11-6-12-19-16(18)13-14-7-4-5-10-17(14)21-19/h4-7,10-12,15H,1-3,8-9,13H2
InChIKeyOPYRJWWXUXVUQO-UHFFFAOYSA-N
XLogP5.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.37
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Equol
CID 91469
Glabridin
CID 124052
Phenoxodiol
CID 219100
Xanthene
CID 7107
4',7-Dihydroxy-3,4-dihydroisoflavone
CID 382975
Vestitol, (-)-
CID 182259
Precocene I
CID 28619
Afzelechin
CID 442154
(+)-Licoricidin
CID 480865
Xanthydrol
CID 72861
(-)-Epiafzelechin
CID 443639
(+)-Vestitol
CID 177149

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxy-9H-xanthene?
The IUPAC name of 1-cyclohexyloxy-9H-xanthene (CID 151368655) is 1-cyclohexyloxy-9H-xanthene.
What is the SMILES notation for 1-cyclohexyloxy-9H-xanthene?
The canonical SMILES for 1-cyclohexyloxy-9H-xanthene is c1ccc2c(c1)Cc1c(cccc1OC1CCCCC1)O2.
What is the InChIKey of 1-cyclohexyloxy-9H-xanthene?
The InChIKey is OPYRJWWXUXVUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-2-8-15(9-3-1)20-18-11-6-12-19-16(18)13-14-7-4-5-10-17(14)21-19/h4-7,10-12,15H,1-3,8-9,13H2.
What are the key properties of 1-cyclohexyloxy-9H-xanthene?
1-cyclohexyloxy-9H-xanthene has a molecular weight of 280.37 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxy-9H-xanthene is sourced from PubChem (CID 151368655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).