5-bromo-2-[(2S)-5-chloro-2,3-dihydro-1H-indol-2-yl]phenol

C14H11BrClNO — CID 129392202

IUPAC5-bromo-2-[(2S)-5-chloro-2,3-dihydro-1H-indol-2-yl]phenol
SMILESOc1cc(Br)ccc1[C@@H]1Cc2cc(Cl)ccc2N1
InChIInChI=1S/C14H11BrClNO/c15-9-1-3-11(14(18)7-9)13-6-8-5-10(16)2-4-12(8)17-13/h1-5,7,13,17-18H,6H2/t13-/m0/s1
InChIKeyWOAUWOJVWHPNHA-ZDUSSCGKSA-N
MW324.61 g/mol
LogP4.52
Rot. Bonds1

About 5-bromo-2-[(2S)-5-chloro-2,3-dihydro-1H-indol-2-yl]phenol

5-bromo-2-[(2S)-5-chloro-2,3-dihydro-1H-indol-2-yl]phenol (PubChem CID 129392202) has the molecular formula C14H11BrClNO and a molecular weight of 324.61 g/mol. Its IUPAC name is 5-bromo-2-[(2S)-5-chloro-2,3-dihydro-1H-indol-2-yl]phenol.

Molecular Properties

Compound Name5-bromo-2-[(2S)-5-chloro-2,3-dihydro-1H-indol-2-yl]phenol
PubChem CID129392202
Molecular FormulaC14H11BrClNO
Molecular Weight324.61 g/mol
Exact Mass322.97
IUPAC Name5-bromo-2-[(2S)-5-chloro-2,3-dihydro-1H-indol-2-yl]phenol
SMILESOc1cc(Br)ccc1[C@@H]1Cc2cc(Cl)ccc2N1
InChIInChI=1S/C14H11BrClNO/c15-9-1-3-11(14(18)7-9)13-6-8-5-10(16)2-4-12(8)17-13/h1-5,7,13,17-18H,6H2/t13-/m0/s1
InChIKeyWOAUWOJVWHPNHA-ZDUSSCGKSA-N
XLogP4.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.61
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(2R)-5-bromo-2-(4-chlorophenyl)-2,3-dihydro-1H-indole
CID 7017020
5-bromo-2-[(2S)-5-bromo-2,3-dihydro-1H-indol-2-yl]-3-fluorophenol
CID 90298097
2-(2,4-dichlorophenyl)-2,3-dihydro-1H-indole
CID 4019542
(4R)-4-(4-bromo-2-hydroxyphenyl)imidazolidin-2-one
CID 130619455
[(2S)-5-bromo-2,3-dihydro-1H-indol-2-yl]methanol
CID 131181494
2-(4-hydroxyphenyl)-2,3-dihydro-1H-indol-5-ol
CID 84691197
(4R)-4-(4-bromo-2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185028
5-chloro-2-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 83486702
1-(5-chloro-2,3-dihydro-1H-indol-2-yl)-N-methylmethanamine
CID 83868576
CID 101024891
CID 101024891
2-(2-methoxyphenyl)-2,3-dihydro-1H-indol-5-ol
CID 84702637
methyl (2R)-5-chloro-2,3-dihydro-1H-indole-2-carboxylate
CID 21344957

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2S)-5-chloro-2,3-dihydro-1H-indol-2-yl]phenol?
The IUPAC name of 5-bromo-2-[(2S)-5-chloro-2,3-dihydro-1H-indol-2-yl]phenol (CID 129392202) is 5-bromo-2-[(2S)-5-chloro-2,3-dihydro-1H-indol-2-yl]phenol.
What is the SMILES notation for 5-bromo-2-[(2S)-5-chloro-2,3-dihydro-1H-indol-2-yl]phenol?
The canonical SMILES for 5-bromo-2-[(2S)-5-chloro-2,3-dihydro-1H-indol-2-yl]phenol is Oc1cc(Br)ccc1[C@@H]1Cc2cc(Cl)ccc2N1.
What is the InChIKey of 5-bromo-2-[(2S)-5-chloro-2,3-dihydro-1H-indol-2-yl]phenol?
The InChIKey is WOAUWOJVWHPNHA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H11BrClNO/c15-9-1-3-11(14(18)7-9)13-6-8-5-10(16)2-4-12(8)17-13/h1-5,7,13,17-18H,6H2/t13-/m0/s1.
What are the key properties of 5-bromo-2-[(2S)-5-chloro-2,3-dihydro-1H-indol-2-yl]phenol?
5-bromo-2-[(2S)-5-chloro-2,3-dihydro-1H-indol-2-yl]phenol has a molecular weight of 324.61 g/mol, XLogP of 4.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2S)-5-chloro-2,3-dihydro-1H-indol-2-yl]phenol is sourced from PubChem (CID 129392202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).