2-(7-hydroxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid

C13H16O3 — CID 68638275

IUPAC2-(7-hydroxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid
SMILESCC1(CC(=O)O)CCCc2ccc(O)cc21
InChIInChI=1S/C13H16O3/c1-13(8-12(15)16)6-2-3-9-4-5-10(14)7-11(9)13/h4-5,7,14H,2-3,6,8H2,1H3,(H,15,16)
InChIKeyTWHLSROAKZBKMX-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.46
Rot. Bonds2

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

2-(7-hydroxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid (PubChem CID 68638275) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(7-hydroxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid.

Molecular Properties

Compound Name2-(7-hydroxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid
PubChem CID68638275
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name2-(7-hydroxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid
SMILESCC1(CC(=O)O)CCCc2ccc(O)cc21
InChIInChI=1S/C13H16O3/c1-13(8-12(15)16)6-2-3-9-4-5-10(14)7-11(9)13/h4-5,7,14H,2-3,6,8H2,1H3,(H,15,16)
InChIKeyTWHLSROAKZBKMX-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,7-dihydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 105461504
3-(aminomethyl)-3-methyl-1,2-dihydroinden-5-ol
CID 84717952
N-[2-(7-hydroxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)ethyl]-3H-benzimidazole-5-carboxamide
CID 71011959
2-[1-(2-bromo-5-hydroxyphenyl)cyclopropyl]acetic acid
CID 84809237
2-(7-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)acetic acid
CID 115057296
8-(aminomethyl)-8-methoxy-6,7-dihydro-5H-naphthalen-2-ol
CID 105460560
(2'S,5R)-2'-methylspiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,1'-cyclopropane]-3-ol
CID 58380254
5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopentane]-1'-one
CID 166172267
2-(1-amino-3,4-dihydro-2H-naphthalen-1-yl)acetic acid
CID 64663881
methyl (1'S)-6-hydroxyspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-carboxylate
CID 143977583
ethyl 3-[8-(hydroxymethyl)-8-methyl-6,7-dihydro-5H-naphthalen-2-yl]propanoate
CID 57318910
(2'R,3R)-2'-methylspiro[1,2-dihydroindene-3,1'-cyclopropane]-5-ol
CID 89082538

Frequently Asked Questions

What is the IUPAC name of 2-(7-hydroxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid?
The IUPAC name of 2-(7-hydroxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid (CID 68638275) is 2-(7-hydroxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid.
What is the SMILES notation for 2-(7-hydroxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid?
The canonical SMILES for 2-(7-hydroxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid is CC1(CC(=O)O)CCCc2ccc(O)cc21.
What is the InChIKey of 2-(7-hydroxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid?
The InChIKey is TWHLSROAKZBKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-13(8-12(15)16)6-2-3-9-4-5-10(14)7-11(9)13/h4-5,7,14H,2-3,6,8H2,1H3,(H,15,16).
What are the key properties of 2-(7-hydroxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid?
2-(7-hydroxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid has a molecular weight of 220.27 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-hydroxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid is sourced from PubChem (CID 68638275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).