2-(9H-fluoren-1-yl)-3,4-dioctylphenol

C35H46O — CID 151912824

IUPAC2-(9H-fluoren-1-yl)-3,4-dioctylphenol
SMILESCCCCCCCCc1ccc(O)c(-c2cccc3c2Cc2ccccc2-3)c1CCCCCCCC
InChIInChI=1S/C35H46O/c1-3-5-7-9-11-13-18-27-24-25-34(36)35(30(27)21-14-12-10-8-6-4-2)32-23-17-22-31-29-20-16-15-19-28(29)26-33(31)32/h15-17,19-20,22-25,36H,3-14,18,21,26H2,1-2H3
InChIKeySVDFJKUAPRRDRN-UHFFFAOYSA-N
MW482.75 g/mol
LogP10.44
Rot. Bonds15

About 2-(9H-fluoren-1-yl)-3,4-dioctylphenol

2-(9H-fluoren-1-yl)-3,4-dioctylphenol (PubChem CID 151912824) has the molecular formula C35H46O and a molecular weight of 482.75 g/mol. Its IUPAC name is 2-(9H-fluoren-1-yl)-3,4-dioctylphenol.

Molecular Properties

Compound Name2-(9H-fluoren-1-yl)-3,4-dioctylphenol
PubChem CID151912824
Molecular FormulaC35H46O
Molecular Weight482.75 g/mol
Exact Mass482.35
IUPAC Name2-(9H-fluoren-1-yl)-3,4-dioctylphenol
SMILESCCCCCCCCc1ccc(O)c(-c2cccc3c2Cc2ccccc2-3)c1CCCCCCCC
InChIInChI=1S/C35H46O/c1-3-5-7-9-11-13-18-27-24-25-34(36)35(30(27)21-14-12-10-8-6-4-2)32-23-17-22-31-29-20-16-15-19-28(29)26-33(31)32/h15-17,19-20,22-25,36H,3-14,18,21,26H2,1-2H3
InChIKeySVDFJKUAPRRDRN-UHFFFAOYSA-N
XLogP10.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.75
LogP ≤ 510.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(9H-fluoren-1-yl)-3-heptyl-4-pentylphenol
CID 150413225
4-butyl-2-(9H-fluoren-1-yl)-3-octylphenol
CID 150998835
1,2-dihexyl-9H-fluorene
CID 22141601
1-butyl-2-decyl-9H-fluorene
CID 151429799
3,4-dioctyl-9H-fluorene
CID 173498709
2-(9H-fluoren-1-yl)-4-nonylphenol
CID 152722460
4-(9H-fluoren-1-yl)-2,6-dioctadecylphenol
CID 151971202
1,2-dioctyl-9H-fluorene;thiophene
CID 174653713
2-butyl-4-(9H-fluoren-1-yl)phenol
CID 139434152
4-heptyl-3-nonyl-2-phenylphenol
CID 66865847
3-decyl-4-pentyl-2-phenylphenol
CID 66867188
4-dodecyl-1,8-dihydroxy-10H-anthracen-9-one
CID 20542347

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-1-yl)-3,4-dioctylphenol?
The IUPAC name of 2-(9H-fluoren-1-yl)-3,4-dioctylphenol (CID 151912824) is 2-(9H-fluoren-1-yl)-3,4-dioctylphenol.
What is the SMILES notation for 2-(9H-fluoren-1-yl)-3,4-dioctylphenol?
The canonical SMILES for 2-(9H-fluoren-1-yl)-3,4-dioctylphenol is CCCCCCCCc1ccc(O)c(-c2cccc3c2Cc2ccccc2-3)c1CCCCCCCC.
What is the InChIKey of 2-(9H-fluoren-1-yl)-3,4-dioctylphenol?
The InChIKey is SVDFJKUAPRRDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H46O/c1-3-5-7-9-11-13-18-27-24-25-34(36)35(30(27)21-14-12-10-8-6-4-2)32-23-17-22-31-29-20-16-15-19-28(29)26-33(31)32/h15-17,19-20,22-25,36H,3-14,18,21,26H2,1-2H3.
What are the key properties of 2-(9H-fluoren-1-yl)-3,4-dioctylphenol?
2-(9H-fluoren-1-yl)-3,4-dioctylphenol has a molecular weight of 482.75 g/mol, XLogP of 10.44, 15 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)-3,4-dioctylphenol is sourced from PubChem (CID 151912824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).