(2-bromo-3-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol

C17H17BrO — CID 107983332

IUPAC(2-bromo-3-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol
SMILESCc1cccc(C(O)c2ccc3c(c2)CCC3)c1Br
InChIInChI=1S/C17H17BrO/c1-11-4-2-7-15(16(11)18)17(19)14-9-8-12-5-3-6-13(12)10-14/h2,4,7-10,17,19H,3,5-6H2,1H3
InChIKeyYCZDFNRQPFVKJN-UHFFFAOYSA-N
MW317.23 g/mol
LogP4.33
Rot. Bonds2

About (2-bromo-3-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol

(2-bromo-3-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol (PubChem CID 107983332) has the molecular formula C17H17BrO and a molecular weight of 317.23 g/mol. Its IUPAC name is (2-bromo-3-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol.

Molecular Properties

Compound Name(2-bromo-3-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol
PubChem CID107983332
Molecular FormulaC17H17BrO
Molecular Weight317.23 g/mol
Exact Mass316.05
IUPAC Name(2-bromo-3-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol
SMILESCc1cccc(C(O)c2ccc3c(c2)CCC3)c1Br
InChIInChI=1S/C17H17BrO/c1-11-4-2-7-15(16(11)18)17(19)14-9-8-12-5-3-6-13(12)10-14/h2,4,7-10,17,19H,3,5-6H2,1H3
InChIKeyYCZDFNRQPFVKJN-UHFFFAOYSA-N
XLogP4.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2-bromo-3-methylphenyl)-(2,3-dihydro-1H-inden-5-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

(2,3-dimethylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanol
CID 61100684
(3-bromo-4-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol
CID 81476719
(5-bromo-2-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanol
CID 65307271
(2-bromo-3-methylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 114024297
2,3-dihydro-1H-inden-5-yl-(2-methylsulfanylphenyl)methanol
CID 79217290
(3-bromo-4-fluorophenyl)-(2-bromo-3-methylphenyl)methanol
CID 114023972
2,3-dihydro-1H-inden-5-yl-(3,4-dimethylphenyl)methanol
CID 61101012
(2-bromo-3-methylphenyl)-phenylmethanol
CID 107983305
2,3-dihydro-1-benzofuran-7-yl(2,3-dihydro-1H-inden-5-yl)methanol
CID 115838905
5-[chloro-(2-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 81477360
(2-bromo-3-methylphenyl)-(3-propan-2-yloxyphenyl)methanol
CID 107985793
5-[(2-bromo-3-methylphenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one
CID 107983320

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol?
The IUPAC name of (2-bromo-3-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol (CID 107983332) is (2-bromo-3-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol.
What is the SMILES notation for (2-bromo-3-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol?
The canonical SMILES for (2-bromo-3-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol is Cc1cccc(C(O)c2ccc3c(c2)CCC3)c1Br.
What is the InChIKey of (2-bromo-3-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol?
The InChIKey is YCZDFNRQPFVKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO/c1-11-4-2-7-15(16(11)18)17(19)14-9-8-12-5-3-6-13(12)10-14/h2,4,7-10,17,19H,3,5-6H2,1H3.
What are the key properties of (2-bromo-3-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol?
(2-bromo-3-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol has a molecular weight of 317.23 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol is sourced from PubChem (CID 107983332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).