2-(2-methoxy-3-propan-2-ylphenyl)-9,9-dimethylfluorene

C25H26O — CID 70894853

IUPAC2-(2-methoxy-3-propan-2-ylphenyl)-9,9-dimethylfluorene
SMILESCOc1c(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cccc1C(C)C
InChIInChI=1S/C25H26O/c1-16(2)18-10-8-11-19(24(18)26-5)17-13-14-21-20-9-6-7-12-22(20)25(3,4)23(21)15-17/h6-16H,1-5H3
InChIKeyFMLZVPYRNYSYRW-UHFFFAOYSA-N
MW342.48 g/mol
LogP6.79
Rot. Bonds3

About 2-(2-methoxy-3-propan-2-ylphenyl)-9,9-dimethylfluorene

2-(2-methoxy-3-propan-2-ylphenyl)-9,9-dimethylfluorene (PubChem CID 70894853) has the molecular formula C25H26O and a molecular weight of 342.48 g/mol. Its IUPAC name is 2-(2-methoxy-3-propan-2-ylphenyl)-9,9-dimethylfluorene.

Molecular Properties

Compound Name2-(2-methoxy-3-propan-2-ylphenyl)-9,9-dimethylfluorene
PubChem CID70894853
Molecular FormulaC25H26O
Molecular Weight342.48 g/mol
Exact Mass342.20
IUPAC Name2-(2-methoxy-3-propan-2-ylphenyl)-9,9-dimethylfluorene
SMILESCOc1c(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cccc1C(C)C
InChIInChI=1S/C25H26O/c1-16(2)18-10-8-11-19(24(18)26-5)17-13-14-21-20-9-6-7-12-22(20)25(3,4)23(21)15-17/h6-16H,1-5H3
InChIKeyFMLZVPYRNYSYRW-UHFFFAOYSA-N
XLogP6.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.48
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene
CID 59133432
9,9-dimethyl-2-naphthalen-1-yl-7-(3-propan-2-ylphenyl)fluorene
CID 140584073
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
9-[7-[5-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]naphthalen-2-yl]phenanthrene
CID 58569626
9,9-dimethyl-2-(2-methylphenyl)fluorene
CID 58389997
1-[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrene
CID 123435588
2-[7-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]naphthalen-2-yl]triphenylene
CID 58569633
7,15-bis(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene
CID 118145607
3-[6-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]fluoranthene
CID 58569042
2-(9,9-dimethylfluoren-2-yl)-7-[6-(6-methoxynaphthalen-2-yl)naphthalen-2-yl]-9,9-dimethylfluorene
CID 90394242
2-(9,9-dimethylfluoren-2-yl)-7-[7-[9,9-dimethyl-7-(2-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58881021

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-3-propan-2-ylphenyl)-9,9-dimethylfluorene?
The IUPAC name of 2-(2-methoxy-3-propan-2-ylphenyl)-9,9-dimethylfluorene (CID 70894853) is 2-(2-methoxy-3-propan-2-ylphenyl)-9,9-dimethylfluorene.
What is the SMILES notation for 2-(2-methoxy-3-propan-2-ylphenyl)-9,9-dimethylfluorene?
The canonical SMILES for 2-(2-methoxy-3-propan-2-ylphenyl)-9,9-dimethylfluorene is COc1c(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cccc1C(C)C.
What is the InChIKey of 2-(2-methoxy-3-propan-2-ylphenyl)-9,9-dimethylfluorene?
The InChIKey is FMLZVPYRNYSYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O/c1-16(2)18-10-8-11-19(24(18)26-5)17-13-14-21-20-9-6-7-12-22(20)25(3,4)23(21)15-17/h6-16H,1-5H3.
What are the key properties of 2-(2-methoxy-3-propan-2-ylphenyl)-9,9-dimethylfluorene?
2-(2-methoxy-3-propan-2-ylphenyl)-9,9-dimethylfluorene has a molecular weight of 342.48 g/mol, XLogP of 6.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-3-propan-2-ylphenyl)-9,9-dimethylfluorene is sourced from PubChem (CID 70894853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).