3-methoxy-5,6-dihydronaphthalene-2-carbaldehyde

C12H12O2 — CID 56680136

IUPAC3-methoxy-5,6-dihydronaphthalene-2-carbaldehyde
SMILESCOc1cc2c(cc1C=O)C=CCC2
InChIInChI=1S/C12H12O2/c1-14-12-7-10-5-3-2-4-9(10)6-11(12)8-13/h2,4,6-8H,3,5H2,1H3
InChIKeySZMJBTXXODAKHB-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.47
Rot. Bonds2

About 3-methoxy-5,6-dihydronaphthalene-2-carbaldehyde

3-methoxy-5,6-dihydronaphthalene-2-carbaldehyde (PubChem CID 56680136) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-methoxy-5,6-dihydronaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name3-methoxy-5,6-dihydronaphthalene-2-carbaldehyde
PubChem CID56680136
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name3-methoxy-5,6-dihydronaphthalene-2-carbaldehyde
SMILESCOc1cc2c(cc1C=O)C=CCC2
InChIInChI=1S/C12H12O2/c1-14-12-7-10-5-3-2-4-9(10)6-11(12)8-13/h2,4,6-8H,3,5H2,1H3
InChIKeySZMJBTXXODAKHB-UHFFFAOYSA-N
XLogP2.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-methoxy-5,6-dihydronaphthalen-2-yl)methanol
CID 19841217
3-methoxy-7,8-dihydronaphthalene-2-carboxylic acid
CID 12738480
6,13,19,20,26,27-hexamethoxypentacyclo[22.4.0.03,8.010,15.017,22]octacosa-1(28),3,5,7,10,12,14,17,19,21,24,26-dodecaene-5,12-dicarbaldehyde
CID 164843046
4-methoxy-5,6-dihydronaphthalene-1-carbaldehyde
CID 163784821
ethane;2,4,5-trimethoxybenzaldehyde
CID 144606441
(E)-4-(3-hydroxy-5,6-dihydronaphthalen-2-yl)but-3-en-2-one
CID 166883346
5-fluoro-2,4-dimethoxybenzaldehyde
CID 10035290
2-methoxy-4-nitrobenzaldehyde
CID 2759599
2-amino-4,5-dimethoxybenzaldehyde
CID 10888543
5-iodo-2-methoxy-4-methylbenzaldehyde
CID 130739044
4-fluoro-2-methoxy-5-methylbenzaldehyde
CID 54566251
6-methoxy-3,3-bis(triaminomethyl)-1H-2-benzofuran-5-carbaldehyde
CID 141009291

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5,6-dihydronaphthalene-2-carbaldehyde?
The IUPAC name of 3-methoxy-5,6-dihydronaphthalene-2-carbaldehyde (CID 56680136) is 3-methoxy-5,6-dihydronaphthalene-2-carbaldehyde.
What is the SMILES notation for 3-methoxy-5,6-dihydronaphthalene-2-carbaldehyde?
The canonical SMILES for 3-methoxy-5,6-dihydronaphthalene-2-carbaldehyde is COc1cc2c(cc1C=O)C=CCC2.
What is the InChIKey of 3-methoxy-5,6-dihydronaphthalene-2-carbaldehyde?
The InChIKey is SZMJBTXXODAKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-14-12-7-10-5-3-2-4-9(10)6-11(12)8-13/h2,4,6-8H,3,5H2,1H3.
What are the key properties of 3-methoxy-5,6-dihydronaphthalene-2-carbaldehyde?
3-methoxy-5,6-dihydronaphthalene-2-carbaldehyde has a molecular weight of 188.23 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5,6-dihydronaphthalene-2-carbaldehyde is sourced from PubChem (CID 56680136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).