5,6,7-trimethoxy-1-methylidene-3,4-dihydro-2H-naphthalene-2-carbaldehyde

C15H18O4 — CID 174824167

IUPAC5,6,7-trimethoxy-1-methylidene-3,4-dihydro-2H-naphthalene-2-carbaldehyde
SMILESC=C1c2cc(OC)c(OC)c(OC)c2CCC1C=O
InChIInChI=1S/C15H18O4/c1-9-10(8-16)5-6-11-12(9)7-13(17-2)15(19-4)14(11)18-3/h7-8,10H,1,5-6H2,2-4H3
InChIKeyZJMDVTAMTWLTMT-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.49
Rot. Bonds4

About 5,6,7-trimethoxy-1-methylidene-3,4-dihydro-2H-naphthalene-2-carbaldehyde

5,6,7-trimethoxy-1-methylidene-3,4-dihydro-2H-naphthalene-2-carbaldehyde (PubChem CID 174824167) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is 5,6,7-trimethoxy-1-methylidene-3,4-dihydro-2H-naphthalene-2-carbaldehyde.

Molecular Properties

Compound Name5,6,7-trimethoxy-1-methylidene-3,4-dihydro-2H-naphthalene-2-carbaldehyde
PubChem CID174824167
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name5,6,7-trimethoxy-1-methylidene-3,4-dihydro-2H-naphthalene-2-carbaldehyde
SMILESC=C1c2cc(OC)c(OC)c(OC)c2CCC1C=O
InChIInChI=1S/C15H18O4/c1-9-10(8-16)5-6-11-12(9)7-13(17-2)15(19-4)14(11)18-3/h7-8,10H,1,5-6H2,2-4H3
InChIKeyZJMDVTAMTWLTMT-UHFFFAOYSA-N
XLogP2.49
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-(hydroxymethyl)-1,2,3-trimethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 71272183
2-[(dimethylamino)methyl]-5,6,7-trimethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 110182452
(2E)-2-(4,5,6-trimethoxy-2,3-dihydroinden-1-ylidene)acetonitrile
CID 125464319
(1S)-4,5,6-trimethoxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 71405237
5-(7-hydroxy-1,2,3-trimethoxy-8,9-dihydro-7H-benzo[7]annulen-5-yl)-2-methoxybenzene-1,3-diol
CID 123678061
2-hydroxy-5,6,7-trimethoxy-3,4-dihydronaphthalene-1-carboxylic acid
CID 151109403
2-methoxy-5-(1,2,3-trimethoxy-7-methyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)aniline
CID 89416873
(5,6,7-trimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydrazine
CID 4656753
(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]cyclopropane-1-carbaldehyde
CID 50905644
5,6,7-trimethoxy-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
CID 11086211
5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 55109327
(1R)-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79014185

Frequently Asked Questions

What is the IUPAC name of 5,6,7-trimethoxy-1-methylidene-3,4-dihydro-2H-naphthalene-2-carbaldehyde?
The IUPAC name of 5,6,7-trimethoxy-1-methylidene-3,4-dihydro-2H-naphthalene-2-carbaldehyde (CID 174824167) is 5,6,7-trimethoxy-1-methylidene-3,4-dihydro-2H-naphthalene-2-carbaldehyde.
What is the SMILES notation for 5,6,7-trimethoxy-1-methylidene-3,4-dihydro-2H-naphthalene-2-carbaldehyde?
The canonical SMILES for 5,6,7-trimethoxy-1-methylidene-3,4-dihydro-2H-naphthalene-2-carbaldehyde is C=C1c2cc(OC)c(OC)c(OC)c2CCC1C=O.
What is the InChIKey of 5,6,7-trimethoxy-1-methylidene-3,4-dihydro-2H-naphthalene-2-carbaldehyde?
The InChIKey is ZJMDVTAMTWLTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-9-10(8-16)5-6-11-12(9)7-13(17-2)15(19-4)14(11)18-3/h7-8,10H,1,5-6H2,2-4H3.
What are the key properties of 5,6,7-trimethoxy-1-methylidene-3,4-dihydro-2H-naphthalene-2-carbaldehyde?
5,6,7-trimethoxy-1-methylidene-3,4-dihydro-2H-naphthalene-2-carbaldehyde has a molecular weight of 262.31 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trimethoxy-1-methylidene-3,4-dihydro-2H-naphthalene-2-carbaldehyde is sourced from PubChem (CID 174824167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).