6-methoxy-3,4-dihydronaphthalene-1-carbaldehyde

C12H12O2 — CID 13275745

IUPAC6-methoxy-3,4-dihydronaphthalene-1-carbaldehyde
SMILESCOc1ccc2c(c1)CCC=C2C=O
InChIInChI=1S/C12H12O2/c1-14-11-5-6-12-9(7-11)3-2-4-10(12)8-13/h4-8H,2-3H2,1H3
InChIKeyUELKMRUVSVAKBY-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.22
Rot. Bonds2

About 6-methoxy-3,4-dihydronaphthalene-1-carbaldehyde

6-methoxy-3,4-dihydronaphthalene-1-carbaldehyde (PubChem CID 13275745) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 6-methoxy-3,4-dihydronaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name6-methoxy-3,4-dihydronaphthalene-1-carbaldehyde
PubChem CID13275745
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name6-methoxy-3,4-dihydronaphthalene-1-carbaldehyde
SMILESCOc1ccc2c(c1)CCC=C2C=O
InChIInChI=1S/C12H12O2/c1-14-11-5-6-12-9(7-11)3-2-4-10(12)8-13/h4-8H,2-3H2,1H3
InChIKeyUELKMRUVSVAKBY-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
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

2-[(E)-2-(6-methoxy-3,4-dihydronaphthalen-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 138968542
2-methoxy-5-methyl-8,9-dihydro-7H-benzo[7]annulene
CID 13275751
(6-methoxy-3,4-dihydronaphthalen-1-yl) 2,2,2-trifluoroacetate
CID 14175471
6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14112
(2E)-2-(5-methoxy-2,3-dihydroinden-1-ylidene)acetamide
CID 10888983
N-[1-(6-methoxy-3,4-dihydronaphthalen-1-yl)ethenyl]-N-methylacetamide
CID 11054318
(6-methoxy-3,4-dihydronaphthalen-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 10043693
4-[2-(4-fluorophenyl)ethyl]-7-methoxy-1,2-dihydronaphthalene
CID 172732247
6-methoxy-1-pyrrol-1-yl-3,4-dihydronaphthalene-2-carbaldehyde
CID 102088801
3,6-dimethoxy-10H-anthracen-9-one
CID 142018270
(E)-8-(6-methoxy-3,4-dihydronaphthalen-1-yl)oct-5-enenitrile
CID 10802790
2-(7-methoxy-3,4-dihydronaphthalen-1-yl)-N-[2-(7-methoxy-3,4-dihydronaphthalen-1-yl)ethyl]ethanamine
CID 123816492

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3,4-dihydronaphthalene-1-carbaldehyde?
The IUPAC name of 6-methoxy-3,4-dihydronaphthalene-1-carbaldehyde (CID 13275745) is 6-methoxy-3,4-dihydronaphthalene-1-carbaldehyde.
What is the SMILES notation for 6-methoxy-3,4-dihydronaphthalene-1-carbaldehyde?
The canonical SMILES for 6-methoxy-3,4-dihydronaphthalene-1-carbaldehyde is COc1ccc2c(c1)CCC=C2C=O.
What is the InChIKey of 6-methoxy-3,4-dihydronaphthalene-1-carbaldehyde?
The InChIKey is UELKMRUVSVAKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-14-11-5-6-12-9(7-11)3-2-4-10(12)8-13/h4-8H,2-3H2,1H3.
What are the key properties of 6-methoxy-3,4-dihydronaphthalene-1-carbaldehyde?
6-methoxy-3,4-dihydronaphthalene-1-carbaldehyde has a molecular weight of 188.23 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3,4-dihydronaphthalene-1-carbaldehyde is sourced from PubChem (CID 13275745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).