7-methoxy-1-(4-methoxyphenyl)-3,4-dihydronaphthalene-2-carbaldehyde

C19H18O3 — CID 71817023

IUPAC7-methoxy-1-(4-methoxyphenyl)-3,4-dihydronaphthalene-2-carbaldehyde
SMILESCOc1ccc(C2=C(C=O)CCc3ccc(OC)cc32)cc1
InChIInChI=1S/C19H18O3/c1-21-16-8-6-14(7-9-16)19-15(12-20)4-3-13-5-10-17(22-2)11-18(13)19/h5-12H,3-4H2,1-2H3
InChIKeyDIEAUGLGFYRKNA-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.65
Rot. Bonds4

About 7-methoxy-1-(4-methoxyphenyl)-3,4-dihydronaphthalene-2-carbaldehyde

7-methoxy-1-(4-methoxyphenyl)-3,4-dihydronaphthalene-2-carbaldehyde (PubChem CID 71817023) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 7-methoxy-1-(4-methoxyphenyl)-3,4-dihydronaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name7-methoxy-1-(4-methoxyphenyl)-3,4-dihydronaphthalene-2-carbaldehyde
PubChem CID71817023
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name7-methoxy-1-(4-methoxyphenyl)-3,4-dihydronaphthalene-2-carbaldehyde
SMILESCOc1ccc(C2=C(C=O)CCc3ccc(OC)cc32)cc1
InChIInChI=1S/C19H18O3/c1-21-16-8-6-14(7-9-16)19-15(12-20)4-3-13-5-10-17(22-2)11-18(13)19/h5-12H,3-4H2,1-2H3
InChIKeyDIEAUGLGFYRKNA-UHFFFAOYSA-N
XLogP3.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-methoxy-1-[2-(4-methylphenyl)ethynyl]-3,4-dihydronaphthalene-2-carbaldehyde
CID 46186555
(3Z)-5-methoxy-3-(6-methoxy-2,3-dihydroinden-1-ylidene)-1,2-dihydroindene
CID 125266195
6-methoxy-1-pyrrol-1-yl-3,4-dihydronaphthalene-2-carbaldehyde
CID 102088801
7-methoxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde
CID 18918770
6-(2-fluoro-5-methoxyphenyl)-2,3-dihydroinden-1-one
CID 169409888
ethane;5-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one
CID 90841573
ethyl (2Z)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)propanoate
CID 104503384
1-[8-(4-methoxyphenyl)-7-phenyl-5,6-dihydronaphthalen-2-yl]ethanone
CID 134851549
(2Z)-2-[(4-chlorophenyl)methylidene]-7-methoxy-3,4-dihydronaphthalen-1-one
CID 6048945
8-methoxy-3-(4-methoxyphenyl)-3a-methyl-4,5-dihydrobenzo[g]indazole
CID 59419877
methyl 6-methoxy-3-(4-methoxyphenyl)-1H-indene-2-carboxylate
CID 20616859
5-(4-methoxyphenyl)-2,3-dihydroinden-1-one
CID 11149112

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-(4-methoxyphenyl)-3,4-dihydronaphthalene-2-carbaldehyde?
The IUPAC name of 7-methoxy-1-(4-methoxyphenyl)-3,4-dihydronaphthalene-2-carbaldehyde (CID 71817023) is 7-methoxy-1-(4-methoxyphenyl)-3,4-dihydronaphthalene-2-carbaldehyde.
What is the SMILES notation for 7-methoxy-1-(4-methoxyphenyl)-3,4-dihydronaphthalene-2-carbaldehyde?
The canonical SMILES for 7-methoxy-1-(4-methoxyphenyl)-3,4-dihydronaphthalene-2-carbaldehyde is COc1ccc(C2=C(C=O)CCc3ccc(OC)cc32)cc1.
What is the InChIKey of 7-methoxy-1-(4-methoxyphenyl)-3,4-dihydronaphthalene-2-carbaldehyde?
The InChIKey is DIEAUGLGFYRKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3/c1-21-16-8-6-14(7-9-16)19-15(12-20)4-3-13-5-10-17(22-2)11-18(13)19/h5-12H,3-4H2,1-2H3.
What are the key properties of 7-methoxy-1-(4-methoxyphenyl)-3,4-dihydronaphthalene-2-carbaldehyde?
7-methoxy-1-(4-methoxyphenyl)-3,4-dihydronaphthalene-2-carbaldehyde has a molecular weight of 294.35 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-(4-methoxyphenyl)-3,4-dihydronaphthalene-2-carbaldehyde is sourced from PubChem (CID 71817023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).