(2Z)-2-(6-methoxy-3,4-dihydro-1H-naphthalen-2-ylidene)acetic acid

C13H14O3 — CID 67377745

IUPAC(2Z)-2-(6-methoxy-3,4-dihydro-1H-naphthalen-2-ylidene)acetic acid
SMILESCOc1ccc2c(c1)CC/C(=C/C(=O)O)C2
InChIInChI=1S/C13H14O3/c1-16-12-5-4-10-6-9(7-13(14)15)2-3-11(10)8-12/h4-5,7-8H,2-3,6H2,1H3,(H,14,15)/b9-7-
InChIKeyXSRJGJVDWAHKKS-CLFYSBASSA-N
MW218.25 g/mol
LogP2.19
Rot. Bonds2

About (2Z)-2-(6-methoxy-3,4-dihydro-1H-naphthalen-2-ylidene)acetic acid

(2Z)-2-(6-methoxy-3,4-dihydro-1H-naphthalen-2-ylidene)acetic acid (PubChem CID 67377745) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is (2Z)-2-(6-methoxy-3,4-dihydro-1H-naphthalen-2-ylidene)acetic acid.

Molecular Properties

Compound Name(2Z)-2-(6-methoxy-3,4-dihydro-1H-naphthalen-2-ylidene)acetic acid
PubChem CID67377745
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name(2Z)-2-(6-methoxy-3,4-dihydro-1H-naphthalen-2-ylidene)acetic acid
SMILESCOc1ccc2c(c1)CC/C(=C/C(=O)O)C2
InChIInChI=1S/C13H14O3/c1-16-12-5-4-10-6-9(7-13(14)15)2-3-11(10)8-12/h4-5,7-8H,2-3,6H2,1H3,(H,14,15)/b9-7-
InChIKeyXSRJGJVDWAHKKS-CLFYSBASSA-N
XLogP2.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6,16-dimethoxy-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(14),3(8),4,6,15,17-hexaene
CID 11573806
2-[1-(3-methoxyphenyl)piperidin-4-ylidene]acetic acid
CID 53435654
(2E)-2-(5-methoxy-2,3-dihydroinden-1-ylidene)acetamide
CID 10888983
7-methoxy-3,4-dihydronaphthalene-2-carboxylic acid
CID 67598336
7-methoxy-3,4-dihydro-1H-naphthalen-2-one;sulfurous acid
CID 23025244
3,6-dimethoxy-10H-anthracen-9-one
CID 142018270
5,6,12,13,19-pentamethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(17),3,5,7,10,12,14,18,20-nonaene
CID 102106088
2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid
CID 18759834
6-methoxy-3-methylidene-2,4-dihydro-1H-naphthalene
CID 115511146
7-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 84620843
(2S)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 10632089
2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanoic acid
CID 82582196

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(6-methoxy-3,4-dihydro-1H-naphthalen-2-ylidene)acetic acid?
The IUPAC name of (2Z)-2-(6-methoxy-3,4-dihydro-1H-naphthalen-2-ylidene)acetic acid (CID 67377745) is (2Z)-2-(6-methoxy-3,4-dihydro-1H-naphthalen-2-ylidene)acetic acid.
What is the SMILES notation for (2Z)-2-(6-methoxy-3,4-dihydro-1H-naphthalen-2-ylidene)acetic acid?
The canonical SMILES for (2Z)-2-(6-methoxy-3,4-dihydro-1H-naphthalen-2-ylidene)acetic acid is COc1ccc2c(c1)CC/C(=C/C(=O)O)C2.
What is the InChIKey of (2Z)-2-(6-methoxy-3,4-dihydro-1H-naphthalen-2-ylidene)acetic acid?
The InChIKey is XSRJGJVDWAHKKS-CLFYSBASSA-N. The full InChI is InChI=1S/C13H14O3/c1-16-12-5-4-10-6-9(7-13(14)15)2-3-11(10)8-12/h4-5,7-8H,2-3,6H2,1H3,(H,14,15)/b9-7-.
What are the key properties of (2Z)-2-(6-methoxy-3,4-dihydro-1H-naphthalen-2-ylidene)acetic acid?
(2Z)-2-(6-methoxy-3,4-dihydro-1H-naphthalen-2-ylidene)acetic acid has a molecular weight of 218.25 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(6-methoxy-3,4-dihydro-1H-naphthalen-2-ylidene)acetic acid is sourced from PubChem (CID 67377745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).