1-(2-methoxyphenyl)-5,7-dimethyl-3,4-dihydronaphthalene-2-carboxylic acid

C20H20O3 — CID 102022275

IUPAC1-(2-methoxyphenyl)-5,7-dimethyl-3,4-dihydronaphthalene-2-carboxylic acid
SMILESCOc1ccccc1C1=C(C(=O)O)CCc2c(C)cc(C)cc21
InChIInChI=1S/C20H20O3/c1-12-10-13(2)14-8-9-16(20(21)22)19(17(14)11-12)15-6-4-5-7-18(15)23-3/h4-7,10-11H,8-9H2,1-3H3,(H,21,22)
InChIKeyBBXWKBVFWKPCRE-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.14
Rot. Bonds3

About 1-(2-methoxyphenyl)-5,7-dimethyl-3,4-dihydronaphthalene-2-carboxylic acid

1-(2-methoxyphenyl)-5,7-dimethyl-3,4-dihydronaphthalene-2-carboxylic acid (PubChem CID 102022275) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-5,7-dimethyl-3,4-dihydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-5,7-dimethyl-3,4-dihydronaphthalene-2-carboxylic acid
PubChem CID102022275
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Name1-(2-methoxyphenyl)-5,7-dimethyl-3,4-dihydronaphthalene-2-carboxylic acid
SMILESCOc1ccccc1C1=C(C(=O)O)CCc2c(C)cc(C)cc21
InChIInChI=1S/C20H20O3/c1-12-10-13(2)14-8-9-16(20(21)22)19(17(14)11-12)15-6-4-5-7-18(15)23-3/h4-7,10-11H,8-9H2,1-3H3,(H,21,22)
InChIKeyBBXWKBVFWKPCRE-UHFFFAOYSA-N
XLogP4.14
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxy-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid
CID 115057866
2-methoxy-6-(2-methoxyphenyl)benzoic acid
CID 22380946
3-(2-methoxyphenyl)benzoic acid
CID 2759547
1-(3,5-dimethylphenyl)-3-hydroxy-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110581616
3-fluoro-5-(2-methoxyphenyl)-4-methylbenzoic acid
CID 176508630
2-[2-(2-methoxyphenyl)phenyl]benzoic acid
CID 67896375
5,15-bis(2-methoxyphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin
CID 91412808
8-methoxy-1-methyl-3,4-dihydronaphthalene-2-carboxylic acid
CID 115057450
4-amino-3-(2-methoxyphenyl)benzoic acid
CID 82293590
3-hydroxy-5-(2-methoxyphenyl)benzoic acid
CID 53225397
2-(2-methoxyphenyl)-6-methyl-1-benzofuran-4-carboxylic acid
CID 175186064
2-(2-methoxyphenyl)-4-methylphenol
CID 79020215

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-5,7-dimethyl-3,4-dihydronaphthalene-2-carboxylic acid?
The IUPAC name of 1-(2-methoxyphenyl)-5,7-dimethyl-3,4-dihydronaphthalene-2-carboxylic acid (CID 102022275) is 1-(2-methoxyphenyl)-5,7-dimethyl-3,4-dihydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 1-(2-methoxyphenyl)-5,7-dimethyl-3,4-dihydronaphthalene-2-carboxylic acid?
The canonical SMILES for 1-(2-methoxyphenyl)-5,7-dimethyl-3,4-dihydronaphthalene-2-carboxylic acid is COc1ccccc1C1=C(C(=O)O)CCc2c(C)cc(C)cc21.
What is the InChIKey of 1-(2-methoxyphenyl)-5,7-dimethyl-3,4-dihydronaphthalene-2-carboxylic acid?
The InChIKey is BBXWKBVFWKPCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O3/c1-12-10-13(2)14-8-9-16(20(21)22)19(17(14)11-12)15-6-4-5-7-18(15)23-3/h4-7,10-11H,8-9H2,1-3H3,(H,21,22).
What are the key properties of 1-(2-methoxyphenyl)-5,7-dimethyl-3,4-dihydronaphthalene-2-carboxylic acid?
1-(2-methoxyphenyl)-5,7-dimethyl-3,4-dihydronaphthalene-2-carboxylic acid has a molecular weight of 308.38 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-5,7-dimethyl-3,4-dihydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 102022275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).