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

C18H19BrO — CID 115803352

IUPAC1-(5-bromo-2-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol
SMILESCc1ccc(Br)cc1C(O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C18H19BrO/c1-12-5-8-16(19)11-17(12)18(20)10-13-6-7-14-3-2-4-15(14)9-13/h5-9,11,18,20H,2-4,10H2,1H3
InChIKeyJDTMRWLGDBZGKO-UHFFFAOYSA-N
MW331.25 g/mol
LogP4.52
Rot. Bonds3

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

1-(5-bromo-2-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol (PubChem CID 115803352) has the molecular formula C18H19BrO and a molecular weight of 331.25 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol
PubChem CID115803352
Molecular FormulaC18H19BrO
Molecular Weight331.25 g/mol
Exact Mass330.06
IUPAC Name1-(5-bromo-2-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol
SMILESCc1ccc(Br)cc1C(O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C18H19BrO/c1-12-5-8-16(19)11-17(12)18(20)10-13-6-7-14-3-2-4-15(14)9-13/h5-9,11,18,20H,2-4,10H2,1H3
InChIKeyJDTMRWLGDBZGKO-UHFFFAOYSA-N
XLogP4.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.25
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-bromo-2-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanol
CID 65307271
2-(3-bromo-4-methoxyphenyl)-1-(5-bromo-2-methylphenyl)ethanol
CID 115779364
1-(3-chloro-4-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 115803551
1-(2-bromo-3-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 115803383
[1-(5-bromo-2-chlorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine
CID 105310671
2-(5-bromo-2-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanol
CID 115784822
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(5-bromo-2-methylphenyl)ethanol
CID 115830873
1-(5-bromo-2-methylphenyl)-2-cyclopropylethanol
CID 115803918
2-(2,3-dihydro-1H-inden-5-yl)-1-(3,4-dimethylphenyl)ethanamine
CID 115864878
2-(4-bromophenyl)-3-(2,3-dihydro-1H-inden-5-yl)propan-1-ol
CID 79438466
[1-(4-bromo-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine
CID 105310656
[2-(2,3-dihydro-1H-inden-5-yl)-1-(2-methylphenyl)ethyl]hydrazine
CID 105200358

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol (CID 115803352) is 1-(5-bromo-2-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol is Cc1ccc(Br)cc1C(O)Cc1ccc2c(c1)CCC2.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol?
The InChIKey is JDTMRWLGDBZGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrO/c1-12-5-8-16(19)11-17(12)18(20)10-13-6-7-14-3-2-4-15(14)9-13/h5-9,11,18,20H,2-4,10H2,1H3.
What are the key properties of 1-(5-bromo-2-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol?
1-(5-bromo-2-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol has a molecular weight of 331.25 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol is sourced from PubChem (CID 115803352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).