1-methoxy-2,6-di(propan-2-yl)-9H-fluorene

C20H24O — CID 174872847

IUPAC1-methoxy-2,6-di(propan-2-yl)-9H-fluorene
SMILESCOc1c(C(C)C)ccc2c1Cc1ccc(C(C)C)cc1-2
InChIInChI=1S/C20H24O/c1-12(2)14-6-7-15-11-19-17(18(15)10-14)9-8-16(13(3)4)20(19)21-5/h6-10,12-13H,11H2,1-5H3
InChIKeyKZTBLHQZQRSBPO-UHFFFAOYSA-N
MW280.41 g/mol
LogP5.51
Rot. Bonds3

About 1-methoxy-2,6-di(propan-2-yl)-9H-fluorene

1-methoxy-2,6-di(propan-2-yl)-9H-fluorene (PubChem CID 174872847) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-methoxy-2,6-di(propan-2-yl)-9H-fluorene.

Molecular Properties

Compound Name1-methoxy-2,6-di(propan-2-yl)-9H-fluorene
PubChem CID174872847
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name1-methoxy-2,6-di(propan-2-yl)-9H-fluorene
SMILESCOc1c(C(C)C)ccc2c1Cc1ccc(C(C)C)cc1-2
InChIInChI=1S/C20H24O/c1-12(2)14-6-7-15-11-19-17(18(15)10-14)9-8-16(13(3)4)20(19)21-5/h6-10,12-13H,11H2,1-5H3
InChIKeyKZTBLHQZQRSBPO-UHFFFAOYSA-N
XLogP5.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.41
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,6-di(propan-2-yl)-9H-fluorene?
The IUPAC name of 1-methoxy-2,6-di(propan-2-yl)-9H-fluorene (CID 174872847) is 1-methoxy-2,6-di(propan-2-yl)-9H-fluorene.
What is the SMILES notation for 1-methoxy-2,6-di(propan-2-yl)-9H-fluorene?
The canonical SMILES for 1-methoxy-2,6-di(propan-2-yl)-9H-fluorene is COc1c(C(C)C)ccc2c1Cc1ccc(C(C)C)cc1-2.
What is the InChIKey of 1-methoxy-2,6-di(propan-2-yl)-9H-fluorene?
The InChIKey is KZTBLHQZQRSBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O/c1-12(2)14-6-7-15-11-19-17(18(15)10-14)9-8-16(13(3)4)20(19)21-5/h6-10,12-13H,11H2,1-5H3.
What are the key properties of 1-methoxy-2,6-di(propan-2-yl)-9H-fluorene?
1-methoxy-2,6-di(propan-2-yl)-9H-fluorene has a molecular weight of 280.41 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,6-di(propan-2-yl)-9H-fluorene is sourced from PubChem (CID 174872847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).