4-methoxy-5,6-dihydronaphthalene-1-carbaldehyde

C12H12O2 — CID 163784821

IUPAC4-methoxy-5,6-dihydronaphthalene-1-carbaldehyde
SMILESCOc1ccc(C=O)c2c1CCC=C2
InChIInChI=1S/C12H12O2/c1-14-12-7-6-9(8-13)10-4-2-3-5-11(10)12/h2,4,6-8H,3,5H2,1H3
InChIKeyMRPVLSRNFSNBRY-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.47
Rot. Bonds2

About 4-methoxy-5,6-dihydronaphthalene-1-carbaldehyde

4-methoxy-5,6-dihydronaphthalene-1-carbaldehyde (PubChem CID 163784821) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-methoxy-5,6-dihydronaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name4-methoxy-5,6-dihydronaphthalene-1-carbaldehyde
PubChem CID163784821
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name4-methoxy-5,6-dihydronaphthalene-1-carbaldehyde
SMILESCOc1ccc(C=O)c2c1CCC=C2
InChIInChI=1S/C12H12O2/c1-14-12-7-6-9(8-13)10-4-2-3-5-11(10)12/h2,4,6-8H,3,5H2,1H3
InChIKeyMRPVLSRNFSNBRY-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

4-methoxy-7,8-dihydronaphthalene-1-carbothialdehyde
CID 18976444
5,8-dimethoxy-3,4-dihydronaphthalene-2-carbaldehyde
CID 13208574
3-methoxy-5,6-dihydronaphthalene-2-carbaldehyde
CID 56680136
7-methoxy-3,3-dimethyl-1,2-dihydroindene-4-carbaldehyde
CID 135060366
4-methoxy-7-methyl-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde
CID 135008237
5-methoxy-8-methyl-2-(3-methyl-4,5-dihydro-1-benzothiophen-2-yl)quinoline-4-carbaldehyde
CID 145293144
2,4-dimethoxybenzene-1,3-dicarbaldehyde
CID 11615337
3-amino-4-methoxy-2-methylbenzaldehyde
CID 150747577
2,3-ditert-butyl-4-methoxybenzaldehyde
CID 174455576
4-methoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-7-carbaldehyde
CID 13164970
3-acetyl-4-methoxy-2-methylbenzaldehyde
CID 171021510
2-methoxy-5-[tris(3-formyl-4-methoxyphenyl)methyl]benzaldehyde
CID 56838314

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5,6-dihydronaphthalene-1-carbaldehyde?
The IUPAC name of 4-methoxy-5,6-dihydronaphthalene-1-carbaldehyde (CID 163784821) is 4-methoxy-5,6-dihydronaphthalene-1-carbaldehyde.
What is the SMILES notation for 4-methoxy-5,6-dihydronaphthalene-1-carbaldehyde?
The canonical SMILES for 4-methoxy-5,6-dihydronaphthalene-1-carbaldehyde is COc1ccc(C=O)c2c1CCC=C2.
What is the InChIKey of 4-methoxy-5,6-dihydronaphthalene-1-carbaldehyde?
The InChIKey is MRPVLSRNFSNBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-14-12-7-6-9(8-13)10-4-2-3-5-11(10)12/h2,4,6-8H,3,5H2,1H3.
What are the key properties of 4-methoxy-5,6-dihydronaphthalene-1-carbaldehyde?
4-methoxy-5,6-dihydronaphthalene-1-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 4-methoxy-5,6-dihydronaphthalene-1-carbaldehyde is sourced from PubChem (CID 163784821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).