2-(7-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetic acid

C14H17BrO2 — CID 84644376

IUPAC2-(7-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetic acid
SMILESCC1(C)CCC(CC(=O)O)c2cc(Br)ccc21
InChIInChI=1S/C14H17BrO2/c1-14(2)6-5-9(7-13(16)17)11-8-10(15)3-4-12(11)14/h3-4,8-9H,5-7H2,1-2H3,(H,16,17)
InChIKeyYXTMLZLLLJQZMH-UHFFFAOYSA-N
MW297.19 g/mol
LogP4.08
Rot. Bonds2

About 2-(7-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetic acid

2-(7-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetic acid (PubChem CID 84644376) has the molecular formula C14H17BrO2 and a molecular weight of 297.19 g/mol. Its IUPAC name is 2-(7-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetic acid.

Molecular Properties

Compound Name2-(7-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetic acid
PubChem CID84644376
Molecular FormulaC14H17BrO2
Molecular Weight297.19 g/mol
Exact Mass296.04
IUPAC Name2-(7-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetic acid
SMILESCC1(C)CCC(CC(=O)O)c2cc(Br)ccc21
InChIInChI=1S/C14H17BrO2/c1-14(2)6-5-9(7-13(16)17)11-8-10(15)3-4-12(11)14/h3-4,8-9H,5-7H2,1-2H3,(H,16,17)
InChIKeyYXTMLZLLLJQZMH-UHFFFAOYSA-N
XLogP4.08
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetic acid?
The IUPAC name of 2-(7-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetic acid (CID 84644376) is 2-(7-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetic acid.
What is the SMILES notation for 2-(7-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetic acid?
The canonical SMILES for 2-(7-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetic acid is CC1(C)CCC(CC(=O)O)c2cc(Br)ccc21.
What is the InChIKey of 2-(7-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetic acid?
The InChIKey is YXTMLZLLLJQZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrO2/c1-14(2)6-5-9(7-13(16)17)11-8-10(15)3-4-12(11)14/h3-4,8-9H,5-7H2,1-2H3,(H,16,17).
What are the key properties of 2-(7-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetic acid?
2-(7-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetic acid has a molecular weight of 297.19 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetic acid is sourced from PubChem (CID 84644376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).