7-methoxy-3,4-dihydronaphthalene-2-carboxylic acid

C12H12O3 — CID 67598336

IUPAC7-methoxy-3,4-dihydronaphthalene-2-carboxylic acid
SMILESCOc1ccc2c(c1)C=C(C(=O)O)CC2
InChIInChI=1S/C12H12O3/c1-15-11-5-4-8-2-3-9(12(13)14)6-10(8)7-11/h4-7H,2-3H2,1H3,(H,13,14)
InChIKeyDBSBRJGTHOQYOH-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.11
Rot. Bonds2

About 7-methoxy-3,4-dihydronaphthalene-2-carboxylic acid

7-methoxy-3,4-dihydronaphthalene-2-carboxylic acid (PubChem CID 67598336) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is 7-methoxy-3,4-dihydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name7-methoxy-3,4-dihydronaphthalene-2-carboxylic acid
PubChem CID67598336
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name7-methoxy-3,4-dihydronaphthalene-2-carboxylic acid
SMILESCOc1ccc2c(c1)C=C(C(=O)O)CC2
InChIInChI=1S/C12H12O3/c1-15-11-5-4-8-2-3-9(12(13)14)6-10(8)7-11/h4-7H,2-3H2,1H3,(H,13,14)
InChIKeyDBSBRJGTHOQYOH-UHFFFAOYSA-N
XLogP2.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-dimethoxy-1,2-dihydronaphthalene
CID 13364263
(5E)-2,3-dimethoxy-7,8,9,10-tetrahydrobenzo[8]annulene-6-carboxylic acid
CID 10106763
2-(7-methoxy-3,4-dihydronaphthalen-2-yl)ethanamine
CID 83832198
(3-methoxy-8,9-dihydro-7H-benzo[7]annulen-6-yl) trifluoromethanesulfonate
CID 155712357
5-methoxy-2-methyl-1H-indene
CID 12616525
but-2-enedioic acid;5-[(7-methoxy-3,4-dihydronaphthalen-2-yl)methyl]-4,5-dihydro-1H-imidazole
CID 70271646
(2S)-3-(7-methoxy-3,4-dihydronaphthalen-2-yl)propane-1,2-diamine
CID 129386115
(2Z)-2-(6-methoxy-3,4-dihydro-1H-naphthalen-2-ylidene)acetic acid
CID 67377745
methyl 3-[(4-fluorophenyl)methoxy]-8,9-dihydro-7H-benzo[7]annulene-6-carboxylate
CID 22989984
6-methoxy-3-methyl-1,2-dihydroisoquinoline
CID 69142122
2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid
CID 18759834
2-(1,5-dimethoxy-2,3-dihydroinden-1-yl)acetic acid
CID 105497580

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3,4-dihydronaphthalene-2-carboxylic acid?
The IUPAC name of 7-methoxy-3,4-dihydronaphthalene-2-carboxylic acid (CID 67598336) is 7-methoxy-3,4-dihydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 7-methoxy-3,4-dihydronaphthalene-2-carboxylic acid?
The canonical SMILES for 7-methoxy-3,4-dihydronaphthalene-2-carboxylic acid is COc1ccc2c(c1)C=C(C(=O)O)CC2.
What is the InChIKey of 7-methoxy-3,4-dihydronaphthalene-2-carboxylic acid?
The InChIKey is DBSBRJGTHOQYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-15-11-5-4-8-2-3-9(12(13)14)6-10(8)7-11/h4-7H,2-3H2,1H3,(H,13,14).
What are the key properties of 7-methoxy-3,4-dihydronaphthalene-2-carboxylic acid?
7-methoxy-3,4-dihydronaphthalene-2-carboxylic acid has a molecular weight of 204.22 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3,4-dihydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 67598336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).