[5-bromo-2-(4-fluoronaphthalen-1-yl)phenyl]-diphenylmethanol

C29H20BrFO — CID 140964013

IUPAC[5-bromo-2-(4-fluoronaphthalen-1-yl)phenyl]-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)c1cc(Br)ccc1-c1ccc(F)c2ccccc12
InChIInChI=1S/C29H20BrFO/c30-22-15-16-25(24-17-18-28(31)26-14-8-7-13-23(24)26)27(19-22)29(32,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-19,32H
InChIKeyRGRADFMDKFBKQO-UHFFFAOYSA-N
MW483.38 g/mol
LogP7.69
Rot. Bonds4

About [5-bromo-2-(4-fluoronaphthalen-1-yl)phenyl]-diphenylmethanol

[5-bromo-2-(4-fluoronaphthalen-1-yl)phenyl]-diphenylmethanol (PubChem CID 140964013) has the molecular formula C29H20BrFO and a molecular weight of 483.38 g/mol. Its IUPAC name is [5-bromo-2-(4-fluoronaphthalen-1-yl)phenyl]-diphenylmethanol.

Molecular Properties

Compound Name[5-bromo-2-(4-fluoronaphthalen-1-yl)phenyl]-diphenylmethanol
PubChem CID140964013
Molecular FormulaC29H20BrFO
Molecular Weight483.38 g/mol
Exact Mass482.07
IUPAC Name[5-bromo-2-(4-fluoronaphthalen-1-yl)phenyl]-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)c1cc(Br)ccc1-c1ccc(F)c2ccccc12
InChIInChI=1S/C29H20BrFO/c30-22-15-16-25(24-17-18-28(31)26-14-8-7-13-23(24)26)27(19-22)29(32,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-19,32H
InChIKeyRGRADFMDKFBKQO-UHFFFAOYSA-N
XLogP7.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.38
LogP ≤ 57.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

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CID 90669669
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CID 134864958
1-(4-Bromophenyl)-1,2,2-triphenylethanol
CID 70944611
6-bromo-2-(3,4-difluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 22709066
[5-Bromo-2-(2-methylphenyl)phenyl]-(2-fluorophenyl)methanol
CID 54143892
1-(1-Bromo-3-fluoronaphthalen-2-yl)-2-(4-propylcyclohexyl)prop-2-en-1-ol
CID 57801992
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CID 58995687
1-(3-Bromo-6,7-difluoronaphthalen-2-yl)-2-(4-propylcyclohexyl)prop-2-en-1-ol
CID 58995690
2-Bromo-9,10-bis(4-fluorophenyl)-9,10-dihydro-9,10-anthracenediol
CID 59211150
2-(6-Bromo-2-naphthyl)-1,1,1-trifluoropropan-2-ol
CID 66637605
1-(4-Bromo-3-fluorophenyl)-2-(3-bromophenyl)-1,2-diphenylethane-1,2-diol
CID 91441003
2-(4-Bromonaphthalen-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 121303143

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(4-fluoronaphthalen-1-yl)phenyl]-diphenylmethanol?
The IUPAC name of [5-bromo-2-(4-fluoronaphthalen-1-yl)phenyl]-diphenylmethanol (CID 140964013) is [5-bromo-2-(4-fluoronaphthalen-1-yl)phenyl]-diphenylmethanol.
What is the SMILES notation for [5-bromo-2-(4-fluoronaphthalen-1-yl)phenyl]-diphenylmethanol?
The canonical SMILES for [5-bromo-2-(4-fluoronaphthalen-1-yl)phenyl]-diphenylmethanol is OC(c1ccccc1)(c1ccccc1)c1cc(Br)ccc1-c1ccc(F)c2ccccc12.
What is the InChIKey of [5-bromo-2-(4-fluoronaphthalen-1-yl)phenyl]-diphenylmethanol?
The InChIKey is RGRADFMDKFBKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20BrFO/c30-22-15-16-25(24-17-18-28(31)26-14-8-7-13-23(24)26)27(19-22)29(32,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-19,32H.
What are the key properties of [5-bromo-2-(4-fluoronaphthalen-1-yl)phenyl]-diphenylmethanol?
[5-bromo-2-(4-fluoronaphthalen-1-yl)phenyl]-diphenylmethanol has a molecular weight of 483.38 g/mol, XLogP of 7.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(4-fluoronaphthalen-1-yl)phenyl]-diphenylmethanol is sourced from PubChem (CID 140964013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).