2-(2-hydroxy-8-methyl-3,4-dihydro-1H-naphthalen-2-yl)acetic acid

C13H16O3 — CID 105475613

IUPAC2-(2-hydroxy-8-methyl-3,4-dihydro-1H-naphthalen-2-yl)acetic acid
SMILESCc1cccc2c1CC(O)(CC(=O)O)CC2
InChIInChI=1S/C13H16O3/c1-9-3-2-4-10-5-6-13(16,7-11(9)10)8-12(14)15/h2-4,16H,5-8H2,1H3,(H,14,15)
InChIKeyIKCKFTQVTKMEGF-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.69
Rot. Bonds2

About 2-(2-hydroxy-8-methyl-3,4-dihydro-1H-naphthalen-2-yl)acetic acid

2-(2-hydroxy-8-methyl-3,4-dihydro-1H-naphthalen-2-yl)acetic acid (PubChem CID 105475613) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(2-hydroxy-8-methyl-3,4-dihydro-1H-naphthalen-2-yl)acetic acid.

Molecular Properties

Compound Name2-(2-hydroxy-8-methyl-3,4-dihydro-1H-naphthalen-2-yl)acetic acid
PubChem CID105475613
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name2-(2-hydroxy-8-methyl-3,4-dihydro-1H-naphthalen-2-yl)acetic acid
SMILESCc1cccc2c1CC(O)(CC(=O)O)CC2
InChIInChI=1S/C13H16O3/c1-9-3-2-4-10-5-6-13(16,7-11(9)10)8-12(14)15/h2-4,16H,5-8H2,1H3,(H,14,15)
InChIKeyIKCKFTQVTKMEGF-UHFFFAOYSA-N
XLogP1.69
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(8-fluoro-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)acetic acid
CID 105481654
2-(2-methoxy-8-methyl-3,4-dihydro-1H-naphthalen-2-yl)acetic acid
CID 105494487
2-fluoro-8-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 105461592
ethyl 2-[(2R)-2-hydroxy-5-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate
CID 125113228
ethyl 2-[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]acetate
CID 94425197
2-[1-(2,3-dimethylphenyl)cyclopentyl]acetic acid
CID 82289741
2-[1-(2,3-dimethylphenyl)cyclopropyl]acetic acid
CID 84777910
8-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 175983212
(2-methoxy-5-methyl-3,4-dihydro-1H-naphthalen-2-yl)methanol
CID 105459152
1-hydroxy-5-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 83908872
2-[1-(7-methyl-2,3-dihydro-1H-inden-4-yl)cyclopropyl]acetic acid
CID 117332749
3,3,8-trimethyl-2,4-dihydro-1H-naphthalene
CID 59978113

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-8-methyl-3,4-dihydro-1H-naphthalen-2-yl)acetic acid?
The IUPAC name of 2-(2-hydroxy-8-methyl-3,4-dihydro-1H-naphthalen-2-yl)acetic acid (CID 105475613) is 2-(2-hydroxy-8-methyl-3,4-dihydro-1H-naphthalen-2-yl)acetic acid.
What is the SMILES notation for 2-(2-hydroxy-8-methyl-3,4-dihydro-1H-naphthalen-2-yl)acetic acid?
The canonical SMILES for 2-(2-hydroxy-8-methyl-3,4-dihydro-1H-naphthalen-2-yl)acetic acid is Cc1cccc2c1CC(O)(CC(=O)O)CC2.
What is the InChIKey of 2-(2-hydroxy-8-methyl-3,4-dihydro-1H-naphthalen-2-yl)acetic acid?
The InChIKey is IKCKFTQVTKMEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-9-3-2-4-10-5-6-13(16,7-11(9)10)8-12(14)15/h2-4,16H,5-8H2,1H3,(H,14,15).
What are the key properties of 2-(2-hydroxy-8-methyl-3,4-dihydro-1H-naphthalen-2-yl)acetic acid?
2-(2-hydroxy-8-methyl-3,4-dihydro-1H-naphthalen-2-yl)acetic acid has a molecular weight of 220.27 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-8-methyl-3,4-dihydro-1H-naphthalen-2-yl)acetic acid is sourced from PubChem (CID 105475613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).