3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(9H-fluoren-1-yl)propan-1-one

C30H34O2 — CID 161013823

IUPAC3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(9H-fluoren-1-yl)propan-1-one
SMILESCC(C)(C)c1cc(CCC(=O)c2cccc3c2Cc2ccccc2-3)cc(C(C)(C)C)c1O
InChIInChI=1S/C30H34O2/c1-29(2,3)25-16-19(17-26(28(25)32)30(4,5)6)14-15-27(31)23-13-9-12-22-21-11-8-7-10-20(21)18-24(22)23/h7-13,16-17,32H,14-15,18H2,1-6H3
InChIKeyTXLRVDNPKYZVRB-UHFFFAOYSA-N
MW426.60 g/mol
LogP7.37
Rot. Bonds4

About 3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(9H-fluoren-1-yl)propan-1-one

3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(9H-fluoren-1-yl)propan-1-one (PubChem CID 161013823) has the molecular formula C30H34O2 and a molecular weight of 426.60 g/mol. Its IUPAC name is 3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(9H-fluoren-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(9H-fluoren-1-yl)propan-1-one
PubChem CID161013823
Molecular FormulaC30H34O2
Molecular Weight426.60 g/mol
Exact Mass426.26
IUPAC Name3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(9H-fluoren-1-yl)propan-1-one
SMILESCC(C)(C)c1cc(CCC(=O)c2cccc3c2Cc2ccccc2-3)cc(C(C)(C)C)c1O
InChIInChI=1S/C30H34O2/c1-29(2,3)25-16-19(17-26(28(25)32)30(4,5)6)14-15-27(31)23-13-9-12-22-21-11-8-7-10-20(21)18-24(22)23/h7-13,16-17,32H,14-15,18H2,1-6H3
InChIKeyTXLRVDNPKYZVRB-UHFFFAOYSA-N
XLogP7.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.60
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-[10-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]anthracen-9-yl]propan-1-one
CID 154019174
1-(9H-fluoren-1-yl)hexadecan-1-one
CID 139905434
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenyl]propanamide
CID 18941460
3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(1-methylpyrrol-3-yl)propan-1-one
CID 23046494
3-[[2-(3,5-ditert-butyl-4-hydroxyphenyl)-9H-fluoren-1-yl]oxy]-3-oxopropanoic acid
CID 150669921
3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 3810668
phenyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 139663069
9H-fluorene-1-carboxamide
CID 18474131
benzene-1,3-diol;3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(3,5-dihydroxyphenyl)propan-1-one;3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid;dichlorozinc
CID 157072600
acetic acid;3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid
CID 162335538
tris(3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid);ethene
CID 159818911
3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-[5-(trifluoromethyl)-1H-pyrrol-2-yl]propan-1-one
CID 122418663

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(9H-fluoren-1-yl)propan-1-one?
The IUPAC name of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(9H-fluoren-1-yl)propan-1-one (CID 161013823) is 3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(9H-fluoren-1-yl)propan-1-one.
What is the SMILES notation for 3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(9H-fluoren-1-yl)propan-1-one?
The canonical SMILES for 3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(9H-fluoren-1-yl)propan-1-one is CC(C)(C)c1cc(CCC(=O)c2cccc3c2Cc2ccccc2-3)cc(C(C)(C)C)c1O.
What is the InChIKey of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(9H-fluoren-1-yl)propan-1-one?
The InChIKey is TXLRVDNPKYZVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34O2/c1-29(2,3)25-16-19(17-26(28(25)32)30(4,5)6)14-15-27(31)23-13-9-12-22-21-11-8-7-10-20(21)18-24(22)23/h7-13,16-17,32H,14-15,18H2,1-6H3.
What are the key properties of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(9H-fluoren-1-yl)propan-1-one?
3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(9H-fluoren-1-yl)propan-1-one has a molecular weight of 426.60 g/mol, XLogP of 7.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(9H-fluoren-1-yl)propan-1-one is sourced from PubChem (CID 161013823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).