2-(7-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)acetic acid

C14H16O3 — CID 19048915

IUPAC2-(7-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)acetic acid
SMILESCOc1ccc2c(c1)C(C)=C(CC(=O)O)CC2
InChIInChI=1S/C14H16O3/c1-9-11(7-14(15)16)4-3-10-5-6-12(17-2)8-13(9)10/h5-6,8H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyDDHAWAASXCRJDH-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.89
Rot. Bonds3

About 2-(7-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)acetic acid

2-(7-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)acetic acid (PubChem CID 19048915) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(7-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)acetic acid.

Molecular Properties

Compound Name2-(7-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)acetic acid
PubChem CID19048915
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name2-(7-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)acetic acid
SMILESCOc1ccc2c(c1)C(C)=C(CC(=O)O)CC2
InChIInChI=1S/C14H16O3/c1-9-11(7-14(15)16)4-3-10-5-6-12(17-2)8-13(9)10/h5-6,8H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyDDHAWAASXCRJDH-UHFFFAOYSA-N
XLogP2.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)acetic acid?
The IUPAC name of 2-(7-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)acetic acid (CID 19048915) is 2-(7-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)acetic acid.
What is the SMILES notation for 2-(7-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)acetic acid?
The canonical SMILES for 2-(7-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)acetic acid is COc1ccc2c(c1)C(C)=C(CC(=O)O)CC2.
What is the InChIKey of 2-(7-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)acetic acid?
The InChIKey is DDHAWAASXCRJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-9-11(7-14(15)16)4-3-10-5-6-12(17-2)8-13(9)10/h5-6,8H,3-4,7H2,1-2H3,(H,15,16).
What are the key properties of 2-(7-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)acetic acid?
2-(7-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)acetic acid has a molecular weight of 232.28 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)acetic acid is sourced from PubChem (CID 19048915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).