2-[6-methoxy-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetaldehyde

C20H22O3 — CID 19830754

IUPAC2-[6-methoxy-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetaldehyde
SMILESCOc1ccc2c(c1)CCC(c1ccccc1OC)C2CC=O
InChIInChI=1S/C20H22O3/c1-22-15-8-10-16-14(13-15)7-9-17(18(16)11-12-21)19-5-3-4-6-20(19)23-2/h3-6,8,10,12-13,17-18H,7,9,11H2,1-2H3
InChIKeyOJSMPKRNUJKTEF-UHFFFAOYSA-N
MW310.39 g/mol
LogP4.11
Rot. Bonds5

About 2-[6-methoxy-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetaldehyde

2-[6-methoxy-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetaldehyde (PubChem CID 19830754) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is 2-[6-methoxy-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[6-methoxy-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetaldehyde
PubChem CID19830754
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Name2-[6-methoxy-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetaldehyde
SMILESCOc1ccc2c(c1)CCC(c1ccccc1OC)C2CC=O
InChIInChI=1S/C20H22O3/c1-22-15-8-10-16-14(13-15)7-9-17(18(16)11-12-21)19-5-3-4-6-20(19)23-2/h3-6,8,10,12-13,17-18H,7,9,11H2,1-2H3
InChIKeyOJSMPKRNUJKTEF-UHFFFAOYSA-N
XLogP4.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.11
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

6-methoxy-2-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
CID 88671274
(1S,2R)-1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10611903
6-methoxy-2a,3,4,8b-tetrahydro-1H-naphtho[1,2-b]azet-2-one
CID 66350309
(1S,2R)-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 10848491
7-methoxy-4-(2-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 12623955
(1R,2R)-2-ethenyl-1-(iodomethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalene
CID 53473547
2-(5-methoxy-2,3-dihydro-1H-indol-2-yl)acetaldehyde
CID 112710978
1-(6-methoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)-N-methylpropan-2-amine
CID 83985344
3-methoxy-17-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene
CID 14583318
(8R,9S,13S,14R)-3-methoxy-14-methyl-7,8,9,11,12,13-hexahydro-6H-cyclopenta[a]phenanthren-17-one
CID 44631144
2-[2-(2-methoxyphenyl)cyclohexyl]acetic acid
CID 66651942
(1S,2S)-2-ethenyl-6-methoxy-1-(4-phenylbut-3-ynyl)-1,2,3,4-tetrahydronaphthalene
CID 45103634

Frequently Asked Questions

What is the IUPAC name of 2-[6-methoxy-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetaldehyde?
The IUPAC name of 2-[6-methoxy-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetaldehyde (CID 19830754) is 2-[6-methoxy-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetaldehyde.
What is the SMILES notation for 2-[6-methoxy-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetaldehyde?
The canonical SMILES for 2-[6-methoxy-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetaldehyde is COc1ccc2c(c1)CCC(c1ccccc1OC)C2CC=O.
What is the InChIKey of 2-[6-methoxy-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetaldehyde?
The InChIKey is OJSMPKRNUJKTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O3/c1-22-15-8-10-16-14(13-15)7-9-17(18(16)11-12-21)19-5-3-4-6-20(19)23-2/h3-6,8,10,12-13,17-18H,7,9,11H2,1-2H3.
What are the key properties of 2-[6-methoxy-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetaldehyde?
2-[6-methoxy-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetaldehyde has a molecular weight of 310.39 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methoxy-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetaldehyde is sourced from PubChem (CID 19830754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).