(2R)-8-chloro-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

C13H15ClO4 — CID 96589493

IUPAC(2R)-8-chloro-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
SMILESCOc1cc2c(c(Cl)c1OC)C[C@H](C(=O)O)CC2
InChIInChI=1S/C13H15ClO4/c1-17-10-6-7-3-4-8(13(15)16)5-9(7)11(14)12(10)18-2/h6,8H,3-5H2,1-2H3,(H,15,16)/t8-/m1/s1
InChIKeyCVDNZNBPNSKGSI-MRVPVSSYSA-N
MW270.71 g/mol
LogP2.55
Rot. Bonds3

About (2R)-8-chloro-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

(2R)-8-chloro-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid (PubChem CID 96589493) has the molecular formula C13H15ClO4 and a molecular weight of 270.71 g/mol. Its IUPAC name is (2R)-8-chloro-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-8-chloro-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
PubChem CID96589493
Molecular FormulaC13H15ClO4
Molecular Weight270.71 g/mol
Exact Mass270.07
IUPAC Name(2R)-8-chloro-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
SMILESCOc1cc2c(c(Cl)c1OC)C[C@H](C(=O)O)CC2
InChIInChI=1S/C13H15ClO4/c1-17-10-6-7-3-4-8(13(15)16)5-9(7)11(14)12(10)18-2/h6,8H,3-5H2,1-2H3,(H,15,16)/t8-/m1/s1
InChIKeyCVDNZNBPNSKGSI-MRVPVSSYSA-N
XLogP2.55
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.71
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-8-chloro-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
The IUPAC name of (2R)-8-chloro-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid (CID 96589493) is (2R)-8-chloro-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid.
What is the SMILES notation for (2R)-8-chloro-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
The canonical SMILES for (2R)-8-chloro-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid is COc1cc2c(c(Cl)c1OC)C[C@H](C(=O)O)CC2.
What is the InChIKey of (2R)-8-chloro-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
The InChIKey is CVDNZNBPNSKGSI-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H15ClO4/c1-17-10-6-7-3-4-8(13(15)16)5-9(7)11(14)12(10)18-2/h6,8H,3-5H2,1-2H3,(H,15,16)/t8-/m1/s1.
What are the key properties of (2R)-8-chloro-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
(2R)-8-chloro-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid has a molecular weight of 270.71 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-8-chloro-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 96589493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).