2-butyl-4-(9H-fluoren-1-yl)phenol

C23H22O — CID 139434152

IUPAC2-butyl-4-(9H-fluoren-1-yl)phenol
SMILESCCCCc1cc(-c2cccc3c2Cc2ccccc2-3)ccc1O
InChIInChI=1S/C23H22O/c1-2-3-7-18-14-17(12-13-23(18)24)20-10-6-11-21-19-9-5-4-8-16(19)15-22(20)21/h4-6,8-14,24H,2-3,7,15H2,1H3
InChIKeyDBRVHYKYOBCPAI-UHFFFAOYSA-N
MW314.43 g/mol
LogP5.97
Rot. Bonds4

About 2-butyl-4-(9H-fluoren-1-yl)phenol

2-butyl-4-(9H-fluoren-1-yl)phenol (PubChem CID 139434152) has the molecular formula C23H22O and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-butyl-4-(9H-fluoren-1-yl)phenol.

Molecular Properties

Compound Name2-butyl-4-(9H-fluoren-1-yl)phenol
PubChem CID139434152
Molecular FormulaC23H22O
Molecular Weight314.43 g/mol
Exact Mass314.17
IUPAC Name2-butyl-4-(9H-fluoren-1-yl)phenol
SMILESCCCCc1cc(-c2cccc3c2Cc2ccccc2-3)ccc1O
InChIInChI=1S/C23H22O/c1-2-3-7-18-14-17(12-13-23(18)24)20-10-6-11-21-19-9-5-4-8-16(19)15-22(20)21/h4-6,8-14,24H,2-3,7,15H2,1H3
InChIKeyDBRVHYKYOBCPAI-UHFFFAOYSA-N
XLogP5.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.43
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-(9H-fluoren-1-yl)phenol?
The IUPAC name of 2-butyl-4-(9H-fluoren-1-yl)phenol (CID 139434152) is 2-butyl-4-(9H-fluoren-1-yl)phenol.
What is the SMILES notation for 2-butyl-4-(9H-fluoren-1-yl)phenol?
The canonical SMILES for 2-butyl-4-(9H-fluoren-1-yl)phenol is CCCCc1cc(-c2cccc3c2Cc2ccccc2-3)ccc1O.
What is the InChIKey of 2-butyl-4-(9H-fluoren-1-yl)phenol?
The InChIKey is DBRVHYKYOBCPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O/c1-2-3-7-18-14-17(12-13-23(18)24)20-10-6-11-21-19-9-5-4-8-16(19)15-22(20)21/h4-6,8-14,24H,2-3,7,15H2,1H3.
What are the key properties of 2-butyl-4-(9H-fluoren-1-yl)phenol?
2-butyl-4-(9H-fluoren-1-yl)phenol has a molecular weight of 314.43 g/mol, XLogP of 5.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-(9H-fluoren-1-yl)phenol is sourced from PubChem (CID 139434152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).