4-bromo-2-cyclopentyl-6-phenylphenol

C17H17BrO — CID 157022496

IUPAC4-bromo-2-cyclopentyl-6-phenylphenol
SMILESOc1c(-c2ccccc2)cc(Br)cc1C1CCCC1
InChIInChI=1S/C17H17BrO/c18-14-10-15(12-6-2-1-3-7-12)17(19)16(11-14)13-8-4-5-9-13/h1-3,6-7,10-11,13,19H,4-5,8-9H2
InChIKeySPKQBQNOZBKXBX-UHFFFAOYSA-N
MW317.23 g/mol
LogP5.48
Rot. Bonds2

About 4-bromo-2-cyclopentyl-6-phenylphenol

4-bromo-2-cyclopentyl-6-phenylphenol (PubChem CID 157022496) has the molecular formula C17H17BrO and a molecular weight of 317.23 g/mol. Its IUPAC name is 4-bromo-2-cyclopentyl-6-phenylphenol.

Molecular Properties

Compound Name4-bromo-2-cyclopentyl-6-phenylphenol
PubChem CID157022496
Molecular FormulaC17H17BrO
Molecular Weight317.23 g/mol
Exact Mass316.05
IUPAC Name4-bromo-2-cyclopentyl-6-phenylphenol
SMILESOc1c(-c2ccccc2)cc(Br)cc1C1CCCC1
InChIInChI=1S/C17H17BrO/c18-14-10-15(12-6-2-1-3-7-12)17(19)16(11-14)13-8-4-5-9-13/h1-3,6-7,10-11,13,19H,4-5,8-9H2
InChIKeySPKQBQNOZBKXBX-UHFFFAOYSA-N
XLogP5.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.23
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Bromo-2,6-dimethylphenol
CID 16919
4,4',6-Tribromo-2,2'-Biphenol
CID 50899959
4-Bromo-2,6-di-tert-butylphenol
CID 70829
2,2'-Methylenebis(4-bromophenol)
CID 3061033
4-Bromopropofol
CID 10422572
4-Bromo-2-ethylphenol
CID 87877
2-Allyl-4-bromophenol
CID 258468
4-[(E)-2-(2-bromophenyl)ethenyl]-2,6-dimethylphenol
CID 14771912
4-Bromo-2-[(2-hydroxyphenyl)methyl]phenol
CID 44446408
2,4-Dibromo-6-phenylphenol
CID 262352
4-Bromo-2-tert-butylphenol
CID 97068
2-Bromo-6-(prop-2-en-1-yl)phenol
CID 13218645

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-cyclopentyl-6-phenylphenol?
The IUPAC name of 4-bromo-2-cyclopentyl-6-phenylphenol (CID 157022496) is 4-bromo-2-cyclopentyl-6-phenylphenol.
What is the SMILES notation for 4-bromo-2-cyclopentyl-6-phenylphenol?
The canonical SMILES for 4-bromo-2-cyclopentyl-6-phenylphenol is Oc1c(-c2ccccc2)cc(Br)cc1C1CCCC1.
What is the InChIKey of 4-bromo-2-cyclopentyl-6-phenylphenol?
The InChIKey is SPKQBQNOZBKXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO/c18-14-10-15(12-6-2-1-3-7-12)17(19)16(11-14)13-8-4-5-9-13/h1-3,6-7,10-11,13,19H,4-5,8-9H2.
What are the key properties of 4-bromo-2-cyclopentyl-6-phenylphenol?
4-bromo-2-cyclopentyl-6-phenylphenol has a molecular weight of 317.23 g/mol, XLogP of 5.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-cyclopentyl-6-phenylphenol is sourced from PubChem (CID 157022496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).