7-hydroxy-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

C12H14O3 — CID 115057019

IUPAC7-hydroxy-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
SMILESCC1c2cc(O)ccc2CCC1C(=O)O
InChIInChI=1S/C12H14O3/c1-7-10(12(14)15)5-3-8-2-4-9(13)6-11(7)8/h2,4,6-7,10,13H,3,5H2,1H3,(H,14,15)
InChIKeyVEEIPBQNQLHSCN-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.14
Rot. Bonds1

About 7-hydroxy-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

7-hydroxy-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid (PubChem CID 115057019) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 7-hydroxy-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name7-hydroxy-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
PubChem CID115057019
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name7-hydroxy-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
SMILESCC1c2cc(O)ccc2CCC1C(=O)O
InChIInChI=1S/C12H14O3/c1-7-10(12(14)15)5-3-8-2-4-9(13)6-11(7)8/h2,4,6-7,10,13H,3,5H2,1H3,(H,14,15)
InChIKeyVEEIPBQNQLHSCN-UHFFFAOYSA-N
XLogP2.14
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057000
1-methyl-1,2,3,4-tetrahydronaphthalene-2,7-diol
CID 115010784
6-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 71463972
6-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057049
7-(aminomethyl)-8-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 115057280
5-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-carboxylic acid
CID 59125395
2-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 68629787
7-bromo-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115058003
5-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057140
7-hydroxy-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 18005850
7-chloro-1-cyclopentyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057981
methyl 2-[(1R)-6-hydroxy-2,3-dihydro-1H-inden-1-yl]propanoate
CID 68632713

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
The IUPAC name of 7-hydroxy-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid (CID 115057019) is 7-hydroxy-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 7-hydroxy-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
The canonical SMILES for 7-hydroxy-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid is CC1c2cc(O)ccc2CCC1C(=O)O.
What is the InChIKey of 7-hydroxy-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
The InChIKey is VEEIPBQNQLHSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-7-10(12(14)15)5-3-8-2-4-9(13)6-11(7)8/h2,4,6-7,10,13H,3,5H2,1H3,(H,14,15).
What are the key properties of 7-hydroxy-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
7-hydroxy-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid has a molecular weight of 206.24 g/mol, XLogP of 2.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 115057019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).