2-(4-bromophenyl)-3-(2,3-dihydro-1H-inden-5-yl)propan-1-ol

C18H19BrO — CID 79438466

IUPAC2-(4-bromophenyl)-3-(2,3-dihydro-1H-inden-5-yl)propan-1-ol
SMILESOCC(Cc1ccc2c(c1)CCC2)c1ccc(Br)cc1
InChIInChI=1S/C18H19BrO/c19-18-8-6-15(7-9-18)17(12-20)11-13-4-5-14-2-1-3-16(14)10-13/h4-10,17,20H,1-3,11-12H2
InChIKeyQLBRBRYCUGMTNP-UHFFFAOYSA-N
MW331.25 g/mol
LogP4.26
Rot. Bonds4

About 2-(4-bromophenyl)-3-(2,3-dihydro-1H-inden-5-yl)propan-1-ol

2-(4-bromophenyl)-3-(2,3-dihydro-1H-inden-5-yl)propan-1-ol (PubChem CID 79438466) has the molecular formula C18H19BrO and a molecular weight of 331.25 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-(2,3-dihydro-1H-inden-5-yl)propan-1-ol.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-(2,3-dihydro-1H-inden-5-yl)propan-1-ol
PubChem CID79438466
Molecular FormulaC18H19BrO
Molecular Weight331.25 g/mol
Exact Mass330.06
IUPAC Name2-(4-bromophenyl)-3-(2,3-dihydro-1H-inden-5-yl)propan-1-ol
SMILESOCC(Cc1ccc2c(c1)CCC2)c1ccc(Br)cc1
InChIInChI=1S/C18H19BrO/c19-18-8-6-15(7-9-18)17(12-20)11-13-4-5-14-2-1-3-16(14)10-13/h4-10,17,20H,1-3,11-12H2
InChIKeyQLBRBRYCUGMTNP-UHFFFAOYSA-N
XLogP4.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.25
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-[bromo-(4-bromophenyl)methyl]-2,3-dihydro-1H-indene
CID 63439245
3-(4-bromophenyl)-2-(4-fluorophenyl)propan-1-ol
CID 79438156
2-(4-bromophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43109357
2-(4-bromophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethylethanamine
CID 43491775
5-[(4-bromophenyl)-chloromethyl]-2,3-dihydro-1H-indene
CID 63429122
1-(5-bromo-2-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 115803352
(2R)-2-(4-bromophenyl)butan-1-ol
CID 59315157
2-(2,3-dihydro-1H-inden-5-ylmethylamino)propane-1,3-diol
CID 65314706
5-[(4-bromophenyl)sulfonylmethyl]-2,3-dihydro-1H-indene
CID 70208606
2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propane-1,3-diol
CID 83931756
6-(2-chloropropyl)-1,2,3,4-tetrahydronaphthalene
CID 82255501
(1R)-1-(4-bromophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine
CID 81356166

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-(2,3-dihydro-1H-inden-5-yl)propan-1-ol?
The IUPAC name of 2-(4-bromophenyl)-3-(2,3-dihydro-1H-inden-5-yl)propan-1-ol (CID 79438466) is 2-(4-bromophenyl)-3-(2,3-dihydro-1H-inden-5-yl)propan-1-ol.
What is the SMILES notation for 2-(4-bromophenyl)-3-(2,3-dihydro-1H-inden-5-yl)propan-1-ol?
The canonical SMILES for 2-(4-bromophenyl)-3-(2,3-dihydro-1H-inden-5-yl)propan-1-ol is OCC(Cc1ccc2c(c1)CCC2)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-3-(2,3-dihydro-1H-inden-5-yl)propan-1-ol?
The InChIKey is QLBRBRYCUGMTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrO/c19-18-8-6-15(7-9-18)17(12-20)11-13-4-5-14-2-1-3-16(14)10-13/h4-10,17,20H,1-3,11-12H2.
What are the key properties of 2-(4-bromophenyl)-3-(2,3-dihydro-1H-inden-5-yl)propan-1-ol?
2-(4-bromophenyl)-3-(2,3-dihydro-1H-inden-5-yl)propan-1-ol has a molecular weight of 331.25 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-(2,3-dihydro-1H-inden-5-yl)propan-1-ol is sourced from PubChem (CID 79438466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).