(3-bromo-4-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol

C17H17BrO — CID 81476719

IUPAC(3-bromo-4-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol
SMILESCc1ccc(C(O)c2ccc3c(c2)CCC3)cc1Br
InChIInChI=1S/C17H17BrO/c1-11-5-6-15(10-16(11)18)17(19)14-8-7-12-3-2-4-13(12)9-14/h5-10,17,19H,2-4H2,1H3
InChIKeyGXOISUHGCGTLDT-UHFFFAOYSA-N
MW317.23 g/mol
LogP4.33
Rot. Bonds2

About (3-bromo-4-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol

(3-bromo-4-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol (PubChem CID 81476719) has the molecular formula C17H17BrO and a molecular weight of 317.23 g/mol. Its IUPAC name is (3-bromo-4-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol.

Molecular Properties

Compound Name(3-bromo-4-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol
PubChem CID81476719
Molecular FormulaC17H17BrO
Molecular Weight317.23 g/mol
Exact Mass316.05
IUPAC Name(3-bromo-4-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol
SMILESCc1ccc(C(O)c2ccc3c(c2)CCC3)cc1Br
InChIInChI=1S/C17H17BrO/c1-11-5-6-15(10-16(11)18)17(19)14-8-7-12-3-2-4-13(12)9-14/h5-10,17,19H,2-4H2,1H3
InChIKeyGXOISUHGCGTLDT-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

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Related Compounds

5-[bromo-(3-bromo-4-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 81476485
2,3-dihydro-1H-inden-5-yl-(3,4-dimethylphenyl)methanol
CID 61101012
(3-bromo-4-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 81471918
(5-bromo-2-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanol
CID 65307271
(2-bromo-3-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol
CID 107983332
5-[chloro-(2,5-dibromo-4-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 81473689
2,3-dihydro-1H-inden-5-yl-(4-fluorophenyl)methanol
CID 61100715
2,3-dihydro-1H-inden-5-yl-(4-methylsulfanylphenyl)methanol
CID 79217216
(3-bromo-4-methylphenyl)-(3-methylphenyl)methanol
CID 114978122
(3-aminophenyl)-(2,3-dihydro-1H-inden-5-yl)methanol
CID 114194374
(3-bromo-4-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 81475614
1-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-1-ol
CID 61087028

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol?
The IUPAC name of (3-bromo-4-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol (CID 81476719) is (3-bromo-4-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol.
What is the SMILES notation for (3-bromo-4-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol?
The canonical SMILES for (3-bromo-4-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol is Cc1ccc(C(O)c2ccc3c(c2)CCC3)cc1Br.
What is the InChIKey of (3-bromo-4-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol?
The InChIKey is GXOISUHGCGTLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO/c1-11-5-6-15(10-16(11)18)17(19)14-8-7-12-3-2-4-13(12)9-14/h5-10,17,19H,2-4H2,1H3.
What are the key properties of (3-bromo-4-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol?
(3-bromo-4-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 (3-bromo-4-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol is sourced from PubChem (CID 81476719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).