2-(1-hydroxy-3,4-dihydronaphthalen-2-yl)acetic acid

C12H12O3 — CID 135204848

IUPAC2-(1-hydroxy-3,4-dihydronaphthalen-2-yl)acetic acid
SMILESO=C(O)CC1=C(O)c2ccccc2CC1
InChIInChI=1S/C12H12O3/c13-11(14)7-9-6-5-8-3-1-2-4-10(8)12(9)15/h1-4,15H,5-7H2,(H,13,14)
InChIKeyCEQKDRYXIMAKMH-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.38
Rot. Bonds2

About 2-(1-hydroxy-3,4-dihydronaphthalen-2-yl)acetic acid

2-(1-hydroxy-3,4-dihydronaphthalen-2-yl)acetic acid (PubChem CID 135204848) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is 2-(1-hydroxy-3,4-dihydronaphthalen-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1-hydroxy-3,4-dihydronaphthalen-2-yl)acetic acid
PubChem CID135204848
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name2-(1-hydroxy-3,4-dihydronaphthalen-2-yl)acetic acid
SMILESO=C(O)CC1=C(O)c2ccccc2CC1
InChIInChI=1S/C12H12O3/c13-11(14)7-9-6-5-8-3-1-2-4-10(8)12(9)15/h1-4,15H,5-7H2,(H,13,14)
InChIKeyCEQKDRYXIMAKMH-UHFFFAOYSA-N
XLogP2.38
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-phenyl-3,4-dihydronaphthalen-2-yl)acetic acid
CID 59227588
2-(3,4-dihydroisoquinolin-1-yl)acetic acid
CID 4737805
2,3-dihydroinden-1-ylidenemethanediol
CID 14337503
9,10-dihydrophenanthrene;methane
CID 174728506
tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,16,18-nonaene
CID 12568460
1-tert-butyl-3,4-dihydronaphthalene-2-carboxylic acid
CID 115057843
2-(7-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)acetic acid
CID 19048915
azane;bis(2-(2-hydroxyphenyl)acetic acid)
CID 70465939
9H-fluorene;propanoic acid
CID 67831567
CID 172781038
CID 172781038
CID 172781001
CID 172781001
9,10-dihydrophenanthrene;ethane
CID 143759681

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-3,4-dihydronaphthalen-2-yl)acetic acid?
The IUPAC name of 2-(1-hydroxy-3,4-dihydronaphthalen-2-yl)acetic acid (CID 135204848) is 2-(1-hydroxy-3,4-dihydronaphthalen-2-yl)acetic acid.
What is the SMILES notation for 2-(1-hydroxy-3,4-dihydronaphthalen-2-yl)acetic acid?
The canonical SMILES for 2-(1-hydroxy-3,4-dihydronaphthalen-2-yl)acetic acid is O=C(O)CC1=C(O)c2ccccc2CC1.
What is the InChIKey of 2-(1-hydroxy-3,4-dihydronaphthalen-2-yl)acetic acid?
The InChIKey is CEQKDRYXIMAKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c13-11(14)7-9-6-5-8-3-1-2-4-10(8)12(9)15/h1-4,15H,5-7H2,(H,13,14).
What are the key properties of 2-(1-hydroxy-3,4-dihydronaphthalen-2-yl)acetic acid?
2-(1-hydroxy-3,4-dihydronaphthalen-2-yl)acetic acid has a molecular weight of 204.22 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-3,4-dihydronaphthalen-2-yl)acetic acid is sourced from PubChem (CID 135204848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).