2-(4-methoxy-1-phenylindazol-5-yl)acetic acid

C16H14N2O3 — CID 3072445

IUPAC2-(4-methoxy-1-phenylindazol-5-yl)acetic acid
SMILESCOc1c(CC(=O)O)ccc2c1cnn2-c1ccccc1
InChIInChI=1S/C16H14N2O3/c1-21-16-11(9-15(19)20)7-8-14-13(16)10-17-18(14)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,19,20)
InChIKeyCYVYRMJLQIBMSS-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.66
Rot. Bonds4

About 2-(4-methoxy-1-phenylindazol-5-yl)acetic acid

2-(4-methoxy-1-phenylindazol-5-yl)acetic acid (PubChem CID 3072445) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-(4-methoxy-1-phenylindazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(4-methoxy-1-phenylindazol-5-yl)acetic acid
PubChem CID3072445
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name2-(4-methoxy-1-phenylindazol-5-yl)acetic acid
SMILESCOc1c(CC(=O)O)ccc2c1cnn2-c1ccccc1
InChIInChI=1S/C16H14N2O3/c1-21-16-11(9-15(19)20)7-8-14-13(16)10-17-18(14)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,19,20)
InChIKeyCYVYRMJLQIBMSS-UHFFFAOYSA-N
XLogP2.66
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-1-phenylindazol-5-yl)acetic acid?
The IUPAC name of 2-(4-methoxy-1-phenylindazol-5-yl)acetic acid (CID 3072445) is 2-(4-methoxy-1-phenylindazol-5-yl)acetic acid.
What is the SMILES notation for 2-(4-methoxy-1-phenylindazol-5-yl)acetic acid?
The canonical SMILES for 2-(4-methoxy-1-phenylindazol-5-yl)acetic acid is COc1c(CC(=O)O)ccc2c1cnn2-c1ccccc1.
What is the InChIKey of 2-(4-methoxy-1-phenylindazol-5-yl)acetic acid?
The InChIKey is CYVYRMJLQIBMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-21-16-11(9-15(19)20)7-8-14-13(16)10-17-18(14)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,19,20).
What are the key properties of 2-(4-methoxy-1-phenylindazol-5-yl)acetic acid?
2-(4-methoxy-1-phenylindazol-5-yl)acetic acid has a molecular weight of 282.30 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-1-phenylindazol-5-yl)acetic acid is sourced from PubChem (CID 3072445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).