9-pentoxy-9H-fluorene

C18H20O — CID 175299691

IUPAC9-pentoxy-9H-fluorene
SMILESCCCCCOC1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H20O/c1-2-3-8-13-19-18-16-11-6-4-9-14(16)15-10-5-7-12-17(15)18/h4-7,9-12,18H,2-3,8,13H2,1H3
InChIKeySNRVGBDKXGWGBI-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.96
Rot. Bonds5

About 9-pentoxy-9H-fluorene

9-pentoxy-9H-fluorene (PubChem CID 175299691) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 9-pentoxy-9H-fluorene.

Molecular Properties

Compound Name9-pentoxy-9H-fluorene
PubChem CID175299691
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name9-pentoxy-9H-fluorene
SMILESCCCCCOC1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H20O/c1-2-3-8-13-19-18-16-11-6-4-9-14(16)15-10-5-7-12-17(15)18/h4-7,9-12,18H,2-3,8,13H2,1H3
InChIKeySNRVGBDKXGWGBI-UHFFFAOYSA-N
XLogP4.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 9-pentoxy-9H-fluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-nonyl-9H-fluorene
CID 22568532
1-(9-butoxy-1-methyl-9H-fluoren-2-yl)decan-1-one
CID 174733550
9-hexan-2-yloxy-9H-fluorene
CID 126552429
2,7-bis[6-(9H-fluoren-9-yl)hexoxy]-3,6,10,11-tetrapentoxytriphenylene
CID 101153566
dipentyl 2,3-bis(9H-fluoren-9-yl)butanedioate
CID 174985564
9-(9H-fluoren-9-yl)-2,3,6,7-tetraoctoxy-9H-fluorene
CID 102164450
7-hexoxybicyclo[4.2.0]octa-1,3,5-triene
CID 122208722
3-butoxy-2-octoxy-3H-isoindol-1-one
CID 142724210
9H-fluoren-9-yl propyl carbonate
CID 175604366
1-octadecoxy-2-phenylbenzene
CID 70983974
9-[1-(9H-fluoren-9-yl)pentyl]-9H-fluorene
CID 19706049
1-pentoxy-2-(4-phenylphenyl)benzene
CID 173284868

Frequently Asked Questions

What is the IUPAC name of 9-pentoxy-9H-fluorene?
The IUPAC name of 9-pentoxy-9H-fluorene (CID 175299691) is 9-pentoxy-9H-fluorene.
What is the SMILES notation for 9-pentoxy-9H-fluorene?
The canonical SMILES for 9-pentoxy-9H-fluorene is CCCCCOC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9-pentoxy-9H-fluorene?
The InChIKey is SNRVGBDKXGWGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c1-2-3-8-13-19-18-16-11-6-4-9-14(16)15-10-5-7-12-17(15)18/h4-7,9-12,18H,2-3,8,13H2,1H3.
What are the key properties of 9-pentoxy-9H-fluorene?
9-pentoxy-9H-fluorene has a molecular weight of 252.36 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-pentoxy-9H-fluorene is sourced from PubChem (CID 175299691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).