2-butyl-4-[9-(3-butyl-4-hydroxyphenyl)fluoren-9-yl]phenol

C33H34O2 — CID 18410576

IUPAC2-butyl-4-[9-(3-butyl-4-hydroxyphenyl)fluoren-9-yl]phenol
SMILESCCCCc1cc(C2(c3ccc(O)c(CCCC)c3)c3ccccc3-c3ccccc32)ccc1O
InChIInChI=1S/C33H34O2/c1-3-5-11-23-21-25(17-19-31(23)34)33(26-18-20-32(35)24(22-26)12-6-4-2)29-15-9-7-13-27(29)28-14-8-10-16-30(28)33/h7-10,13-22,34-35H,3-6,11-12H2,1-2H3
InChIKeyVFIWRWAGUSQPKU-UHFFFAOYSA-N
MW462.63 g/mol
LogP8.15
Rot. Bonds8

About 2-butyl-4-[9-(3-butyl-4-hydroxyphenyl)fluoren-9-yl]phenol

2-butyl-4-[9-(3-butyl-4-hydroxyphenyl)fluoren-9-yl]phenol (PubChem CID 18410576) has the molecular formula C33H34O2 and a molecular weight of 462.63 g/mol. Its IUPAC name is 2-butyl-4-[9-(3-butyl-4-hydroxyphenyl)fluoren-9-yl]phenol.

Molecular Properties

Compound Name2-butyl-4-[9-(3-butyl-4-hydroxyphenyl)fluoren-9-yl]phenol
PubChem CID18410576
Molecular FormulaC33H34O2
Molecular Weight462.63 g/mol
Exact Mass462.26
IUPAC Name2-butyl-4-[9-(3-butyl-4-hydroxyphenyl)fluoren-9-yl]phenol
SMILESCCCCc1cc(C2(c3ccc(O)c(CCCC)c3)c3ccccc3-c3ccccc32)ccc1O
InChIInChI=1S/C33H34O2/c1-3-5-11-23-21-25(17-19-31(23)34)33(26-18-20-32(35)24(22-26)12-6-4-2)29-15-9-7-13-27(29)28-14-8-10-16-30(28)33/h7-10,13-22,34-35H,3-6,11-12H2,1-2H3
InChIKeyVFIWRWAGUSQPKU-UHFFFAOYSA-N
XLogP8.15
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.63
LogP ≤ 58.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-[9-(3-butyl-4-hydroxyphenyl)fluoren-9-yl]phenol?
The IUPAC name of 2-butyl-4-[9-(3-butyl-4-hydroxyphenyl)fluoren-9-yl]phenol (CID 18410576) is 2-butyl-4-[9-(3-butyl-4-hydroxyphenyl)fluoren-9-yl]phenol.
What is the SMILES notation for 2-butyl-4-[9-(3-butyl-4-hydroxyphenyl)fluoren-9-yl]phenol?
The canonical SMILES for 2-butyl-4-[9-(3-butyl-4-hydroxyphenyl)fluoren-9-yl]phenol is CCCCc1cc(C2(c3ccc(O)c(CCCC)c3)c3ccccc3-c3ccccc32)ccc1O.
What is the InChIKey of 2-butyl-4-[9-(3-butyl-4-hydroxyphenyl)fluoren-9-yl]phenol?
The InChIKey is VFIWRWAGUSQPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34O2/c1-3-5-11-23-21-25(17-19-31(23)34)33(26-18-20-32(35)24(22-26)12-6-4-2)29-15-9-7-13-27(29)28-14-8-10-16-30(28)33/h7-10,13-22,34-35H,3-6,11-12H2,1-2H3.
What are the key properties of 2-butyl-4-[9-(3-butyl-4-hydroxyphenyl)fluoren-9-yl]phenol?
2-butyl-4-[9-(3-butyl-4-hydroxyphenyl)fluoren-9-yl]phenol has a molecular weight of 462.63 g/mol, XLogP of 8.15, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-[9-(3-butyl-4-hydroxyphenyl)fluoren-9-yl]phenol is sourced from PubChem (CID 18410576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).