(1R)-1-[(2-bromophenyl)methyl]-3,3-dimethyl-1H-inden-2-one

C18H17BrO — CID 164673807

IUPAC(1R)-1-[(2-bromophenyl)methyl]-3,3-dimethyl-1H-inden-2-one
SMILESCC1(C)C(=O)[C@H](Cc2ccccc2Br)c2ccccc21
InChIInChI=1S/C18H17BrO/c1-18(2)15-9-5-4-8-13(15)14(17(18)20)11-12-7-3-6-10-16(12)19/h3-10,14H,11H2,1-2H3/t14-/m1/s1
InChIKeyUXXHXLAMEAPQTC-CQSZACIVSA-N
MW329.24 g/mol
LogP4.64
Rot. Bonds2

About (1R)-1-[(2-bromophenyl)methyl]-3,3-dimethyl-1H-inden-2-one

(1R)-1-[(2-bromophenyl)methyl]-3,3-dimethyl-1H-inden-2-one (PubChem CID 164673807) has the molecular formula C18H17BrO and a molecular weight of 329.24 g/mol. Its IUPAC name is (1R)-1-[(2-bromophenyl)methyl]-3,3-dimethyl-1H-inden-2-one.

Molecular Properties

Compound Name(1R)-1-[(2-bromophenyl)methyl]-3,3-dimethyl-1H-inden-2-one
PubChem CID164673807
Molecular FormulaC18H17BrO
Molecular Weight329.24 g/mol
Exact Mass328.05
IUPAC Name(1R)-1-[(2-bromophenyl)methyl]-3,3-dimethyl-1H-inden-2-one
SMILESCC1(C)C(=O)[C@H](Cc2ccccc2Br)c2ccccc21
InChIInChI=1S/C18H17BrO/c1-18(2)15-9-5-4-8-13(15)14(17(18)20)11-12-7-3-6-10-16(12)19/h3-10,14H,11H2,1-2H3/t14-/m1/s1
InChIKeyUXXHXLAMEAPQTC-CQSZACIVSA-N
XLogP4.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 98160364
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CID 70612738
2-[(2-bromophenyl)methyl]-4-tert-butylcyclohexan-1-one
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2-[(2-bromophenyl)methyl]-4-phenylcyclohexan-1-one
CID 63399765
2-(2-bromophenyl)-1-(4,4-dimethylcyclohexyl)ethanamine
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3-[(2-bromophenyl)methyl]-2-methylcyclopentan-1-ol
CID 64907505
4-(2-bromophenyl)-4-methylazetidin-2-one
CID 64666618
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CID 155291918
5-[(2-bromophenyl)methyl]-5H-tetrazole
CID 174412815
(5S,6R)-6-(2-bromophenyl)-3,3-dimethyl-5-phenyloxane-2,4-dione
CID 7347218
benzenesulfinate;(3Z,4R)-4-[(2-bromophenyl)methyl]-3-ethylidene-1,3-oxazolidin-3-ium-2-one
CID 167615612
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CID 60975356

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2-bromophenyl)methyl]-3,3-dimethyl-1H-inden-2-one?
The IUPAC name of (1R)-1-[(2-bromophenyl)methyl]-3,3-dimethyl-1H-inden-2-one (CID 164673807) is (1R)-1-[(2-bromophenyl)methyl]-3,3-dimethyl-1H-inden-2-one.
What is the SMILES notation for (1R)-1-[(2-bromophenyl)methyl]-3,3-dimethyl-1H-inden-2-one?
The canonical SMILES for (1R)-1-[(2-bromophenyl)methyl]-3,3-dimethyl-1H-inden-2-one is CC1(C)C(=O)[C@H](Cc2ccccc2Br)c2ccccc21.
What is the InChIKey of (1R)-1-[(2-bromophenyl)methyl]-3,3-dimethyl-1H-inden-2-one?
The InChIKey is UXXHXLAMEAPQTC-CQSZACIVSA-N. The full InChI is InChI=1S/C18H17BrO/c1-18(2)15-9-5-4-8-13(15)14(17(18)20)11-12-7-3-6-10-16(12)19/h3-10,14H,11H2,1-2H3/t14-/m1/s1.
What are the key properties of (1R)-1-[(2-bromophenyl)methyl]-3,3-dimethyl-1H-inden-2-one?
(1R)-1-[(2-bromophenyl)methyl]-3,3-dimethyl-1H-inden-2-one has a molecular weight of 329.24 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2-bromophenyl)methyl]-3,3-dimethyl-1H-inden-2-one is sourced from PubChem (CID 164673807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).