1-(3,5-dimethoxyphenyl)-9H-fluorene

C21H18O2 — CID 152594732

IUPAC1-(3,5-dimethoxyphenyl)-9H-fluorene
SMILESCOc1cc(OC)cc(-c2cccc3c2Cc2ccccc2-3)c1
InChIInChI=1S/C21H18O2/c1-22-16-10-15(11-17(13-16)23-2)19-8-5-9-20-18-7-4-3-6-14(18)12-21(19)20/h3-11,13H,12H2,1-2H3
InChIKeyYWFKJKCSKIOSER-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.94
Rot. Bonds3

About 1-(3,5-dimethoxyphenyl)-9H-fluorene

1-(3,5-dimethoxyphenyl)-9H-fluorene (PubChem CID 152594732) has the molecular formula C21H18O2 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-9H-fluorene.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-9H-fluorene
PubChem CID152594732
Molecular FormulaC21H18O2
Molecular Weight302.37 g/mol
Exact Mass302.13
IUPAC Name1-(3,5-dimethoxyphenyl)-9H-fluorene
SMILESCOc1cc(OC)cc(-c2cccc3c2Cc2ccccc2-3)c1
InChIInChI=1S/C21H18O2/c1-22-16-10-15(11-17(13-16)23-2)19-8-5-9-20-18-7-4-3-6-14(18)12-21(19)20/h3-11,13H,12H2,1-2H3
InChIKeyYWFKJKCSKIOSER-UHFFFAOYSA-N
XLogP4.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
2-(3,5-dimethoxyphenyl)-3-methyl-1H-indene
CID 134983349
5-(9H-fluoren-1-yl)benzene-1,3-dicarbonitrile
CID 172779632
5-(3,5-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 56866430
4-(3,5-dimethoxyphenyl)-2-methyl-1H-indene
CID 173192850
2-(9H-fluoren-1-yl)anthracene
CID 151119003
1-(2,3-dimethoxyphenyl)-9H-fluorene
CID 150272251
1-[3-(3-methylphenyl)phenyl]-9H-fluorene
CID 159755340
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
2,11-bis(9H-fluoren-1-yl)triphenylene
CID 59489264
4-[4-(9H-fluoren-1-yl)phenoxy]aniline
CID 141303700
1,3-dimethoxy-5-(2-methylphenyl)benzene
CID 86038743

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-9H-fluorene?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-9H-fluorene (CID 152594732) is 1-(3,5-dimethoxyphenyl)-9H-fluorene.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-9H-fluorene?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-9H-fluorene is COc1cc(OC)cc(-c2cccc3c2Cc2ccccc2-3)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-9H-fluorene?
The InChIKey is YWFKJKCSKIOSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O2/c1-22-16-10-15(11-17(13-16)23-2)19-8-5-9-20-18-7-4-3-6-14(18)12-21(19)20/h3-11,13H,12H2,1-2H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-9H-fluorene?
1-(3,5-dimethoxyphenyl)-9H-fluorene has a molecular weight of 302.37 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-9H-fluorene is sourced from PubChem (CID 152594732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).