5-methoxy-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid

C18H16O3 — CID 115057866

IUPAC5-methoxy-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid
SMILESCOc1cccc2c1CCC(C(=O)O)=C2c1ccccc1
InChIInChI=1S/C18H16O3/c1-21-16-9-5-8-14-13(16)10-11-15(18(19)20)17(14)12-6-3-2-4-7-12/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyTXRZSRHRKCPNJN-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.53
Rot. Bonds3

About 5-methoxy-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid

5-methoxy-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid (PubChem CID 115057866) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is 5-methoxy-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name5-methoxy-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid
PubChem CID115057866
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name5-methoxy-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid
SMILESCOc1cccc2c1CCC(C(=O)O)=C2c1ccccc1
InChIInChI=1S/C18H16O3/c1-21-16-9-5-8-14-13(16)10-11-15(18(19)20)17(14)12-6-3-2-4-7-12/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyTXRZSRHRKCPNJN-UHFFFAOYSA-N
XLogP3.53
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid
CID 115057863
1-(2-methoxyphenyl)-5,7-dimethyl-3,4-dihydronaphthalene-2-carboxylic acid
CID 102022275
3-(2-methoxyphenyl)benzoic acid
CID 2759547
8-methoxy-1-methyl-3,4-dihydronaphthalene-2-carboxylic acid
CID 115057450
2-methoxy-6-(2-methoxyphenyl)benzoic acid
CID 22380946
5-methoxy-3,4-dihydronaphthalene-2-carboxylic acid
CID 70186189
methyl 2-fluoro-5-methoxy-3,4-dihydronaphthalene-1-carboxylate
CID 102446417
6-methoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol
CID 54275814
methyl 5-methoxy-3,4-dihydronaphthalene-1-carboxylate
CID 23567165
2-fluoro-2-(5-methoxy-3,4-dihydronaphthalen-1-yl)acetic acid
CID 105497474
3-(2-fluoro-3-methoxyphenyl)benzoic acid
CID 53216650
1-(5-methoxy-3,4-dihydronaphthalen-1-yl)propan-2-one
CID 132600226

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid?
The IUPAC name of 5-methoxy-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid (CID 115057866) is 5-methoxy-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 5-methoxy-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid?
The canonical SMILES for 5-methoxy-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid is COc1cccc2c1CCC(C(=O)O)=C2c1ccccc1.
What is the InChIKey of 5-methoxy-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid?
The InChIKey is TXRZSRHRKCPNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3/c1-21-16-9-5-8-14-13(16)10-11-15(18(19)20)17(14)12-6-3-2-4-7-12/h2-9H,10-11H2,1H3,(H,19,20).
What are the key properties of 5-methoxy-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid?
5-methoxy-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid has a molecular weight of 280.32 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 115057866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).