2-(9H-fluoren-1-yl)-4-propylphenol

C22H20O — CID 151190186

IUPAC2-(9H-fluoren-1-yl)-4-propylphenol
SMILESCCCc1ccc(O)c(-c2cccc3c2Cc2ccccc2-3)c1
InChIInChI=1S/C22H20O/c1-2-6-15-11-12-22(23)21(13-15)19-10-5-9-18-17-8-4-3-7-16(17)14-20(18)19/h3-5,7-13,23H,2,6,14H2,1H3
InChIKeyNGDNBFWOHRCVIJ-UHFFFAOYSA-N
MW300.40 g/mol
LogP5.58
Rot. Bonds3

About 2-(9H-fluoren-1-yl)-4-propylphenol

2-(9H-fluoren-1-yl)-4-propylphenol (PubChem CID 151190186) has the molecular formula C22H20O and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-(9H-fluoren-1-yl)-4-propylphenol.

Molecular Properties

Compound Name2-(9H-fluoren-1-yl)-4-propylphenol
PubChem CID151190186
Molecular FormulaC22H20O
Molecular Weight300.40 g/mol
Exact Mass300.15
IUPAC Name2-(9H-fluoren-1-yl)-4-propylphenol
SMILESCCCc1ccc(O)c(-c2cccc3c2Cc2ccccc2-3)c1
InChIInChI=1S/C22H20O/c1-2-6-15-11-12-22(23)21(13-15)19-10-5-9-18-17-8-4-3-7-16(17)14-20(18)19/h3-5,7-13,23H,2,6,14H2,1H3
InChIKeyNGDNBFWOHRCVIJ-UHFFFAOYSA-N
XLogP5.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.40
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(9H-fluoren-1-yl)-4-nonylphenol
CID 152722460
2-butyl-4-(9H-fluoren-1-yl)phenol
CID 139434152
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
4-hexyl-2-(2-hydroxyphenyl)phenol
CID 139699928
2-(9H-fluoren-1-yl)-3-heptyl-4-pentylphenol
CID 150413225
2-(9H-fluoren-1-yl)-3,4-dioctylphenol
CID 151912824
4-(9H-fluoren-1-yl)benzene-1,2,3-triol
CID 139434157
4-butyl-2-(9H-fluoren-1-yl)-3-octylphenol
CID 150998835
4-(9H-fluoren-1-yl)-2,6-dioctadecylphenol
CID 151971202
3-docosyl-9H-fluorene
CID 141425169
3-tricosyl-9H-fluorene
CID 141426174
3-hexyl-9H-fluorene
CID 141425158

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-1-yl)-4-propylphenol?
The IUPAC name of 2-(9H-fluoren-1-yl)-4-propylphenol (CID 151190186) is 2-(9H-fluoren-1-yl)-4-propylphenol.
What is the SMILES notation for 2-(9H-fluoren-1-yl)-4-propylphenol?
The canonical SMILES for 2-(9H-fluoren-1-yl)-4-propylphenol is CCCc1ccc(O)c(-c2cccc3c2Cc2ccccc2-3)c1.
What is the InChIKey of 2-(9H-fluoren-1-yl)-4-propylphenol?
The InChIKey is NGDNBFWOHRCVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O/c1-2-6-15-11-12-22(23)21(13-15)19-10-5-9-18-17-8-4-3-7-16(17)14-20(18)19/h3-5,7-13,23H,2,6,14H2,1H3.
What are the key properties of 2-(9H-fluoren-1-yl)-4-propylphenol?
2-(9H-fluoren-1-yl)-4-propylphenol has a molecular weight of 300.40 g/mol, XLogP of 5.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-1-yl)-4-propylphenol is sourced from PubChem (CID 151190186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).