(4-bromo-3-chloro-2-fluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanol

C16H13BrClFO — CID 106762057

IUPAC(4-bromo-3-chloro-2-fluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanol
SMILESOC(c1ccc(Br)c(Cl)c1F)C1Cc2ccccc2C1
InChIInChI=1S/C16H13BrClFO/c17-13-6-5-12(15(19)14(13)18)16(20)11-7-9-3-1-2-4-10(9)8-11/h1-6,11,16,20H,7-8H2
InChIKeyCJRQZBXAVPUCJS-UHFFFAOYSA-N
MW355.63 g/mol
LogP4.69
Rot. Bonds2

About (4-bromo-3-chloro-2-fluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanol

(4-bromo-3-chloro-2-fluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanol (PubChem CID 106762057) has the molecular formula C16H13BrClFO and a molecular weight of 355.63 g/mol. Its IUPAC name is (4-bromo-3-chloro-2-fluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanol.

Molecular Properties

Compound Name(4-bromo-3-chloro-2-fluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanol
PubChem CID106762057
Molecular FormulaC16H13BrClFO
Molecular Weight355.63 g/mol
Exact Mass353.98
IUPAC Name(4-bromo-3-chloro-2-fluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanol
SMILESOC(c1ccc(Br)c(Cl)c1F)C1Cc2ccccc2C1
InChIInChI=1S/C16H13BrClFO/c17-13-6-5-12(15(19)14(13)18)16(20)11-7-9-3-1-2-4-10(9)8-11/h1-6,11,16,20H,7-8H2
InChIKeyCJRQZBXAVPUCJS-UHFFFAOYSA-N
XLogP4.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.63
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze (4-bromo-3-chloro-2-fluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-bromo-3-chloro-2-fluorophenyl)-cyclopropylmethanol
CID 106761352
1-(4-bromo-3-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-ol
CID 106765072
(2,3-difluoro-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol
CID 107512915
(4-bromo-3-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
CID 106765094
(4-bromo-3-chloro-2-fluorophenyl)-(3-methyloxan-4-yl)methanol
CID 114242073
(4-bromo-3-chloro-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 106762496
(4-bromo-3-chloro-2-fluorophenyl)-(4-bromo-2-fluorophenyl)methanol
CID 106761336
1-(4-bromo-3-chloro-2-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
CID 106765023
(4-bromo-3-chloro-2-fluorophenyl)-(2-bromofuran-3-yl)methanol
CID 106859646
4-[(4-bromo-3-chloro-2-fluorophenyl)-fluoromethyl]piperidine
CID 106763888
1-[(4-bromo-3-chloro-2-fluorophenyl)-hydroxymethyl]cyclohexan-1-ol
CID 106762196
1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylsulfanylethanol
CID 106762014

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanol?
The IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanol (CID 106762057) is (4-bromo-3-chloro-2-fluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanol.
What is the SMILES notation for (4-bromo-3-chloro-2-fluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanol?
The canonical SMILES for (4-bromo-3-chloro-2-fluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanol is OC(c1ccc(Br)c(Cl)c1F)C1Cc2ccccc2C1.
What is the InChIKey of (4-bromo-3-chloro-2-fluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanol?
The InChIKey is CJRQZBXAVPUCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClFO/c17-13-6-5-12(15(19)14(13)18)16(20)11-7-9-3-1-2-4-10(9)8-11/h1-6,11,16,20H,7-8H2.
What are the key properties of (4-bromo-3-chloro-2-fluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanol?
(4-bromo-3-chloro-2-fluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanol has a molecular weight of 355.63 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chloro-2-fluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanol is sourced from PubChem (CID 106762057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).