2-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzaldehyde

C23H28O2 — CID 141035604

IUPAC2-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzaldehyde
SMILESCOc1c(C=O)cccc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C
InChIInChI=1S/C23H28O2/c1-15-12-19-20(23(4,5)11-10-22(19,2)3)13-18(15)17-9-7-8-16(14-24)21(17)25-6/h7-9,12-14H,10-11H2,1-6H3
InChIKeyUBZGMHBMJYRSEP-UHFFFAOYSA-N
MW336.48 g/mol
LogP5.83
Rot. Bonds3

About 2-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzaldehyde

2-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzaldehyde (PubChem CID 141035604) has the molecular formula C23H28O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzaldehyde.

Molecular Properties

Compound Name2-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzaldehyde
PubChem CID141035604
Molecular FormulaC23H28O2
Molecular Weight336.48 g/mol
Exact Mass336.21
IUPAC Name2-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzaldehyde
SMILESCOc1c(C=O)cccc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C
InChIInChI=1S/C23H28O2/c1-15-12-19-20(23(4,5)11-10-22(19,2)3)13-18(15)17-9-7-8-16(14-24)21(17)25-6/h7-9,12-14H,10-11H2,1-6H3
InChIKeyUBZGMHBMJYRSEP-UHFFFAOYSA-N
XLogP5.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 55.83
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-methyl-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzaldehyde
CID 91108589
3-hydroxy-4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzaldehyde
CID 86587842
2-methoxy-3-naphthalen-1-ylbenzaldehyde
CID 10879893
5-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)pyridine-2-carbaldehyde
CID 141035605
2-(methoxymethoxy)-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzaldehyde
CID 22634644
6-(2-methoxy-5-methylphenyl)-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene
CID 90715574
5-[(E)-hydroxyiminomethyl]-2-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenol
CID 59065283
3-methyl-5-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]penta-2,4-dienoic acid
CID 54131093
acetaldehyde;ethane;[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methanimine
CID 142215384
5-[[3-fluoro-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione
CID 69461321
2-methoxy-3-thiophen-2-ylbenzaldehyde
CID 172649789
2-methoxy-3-(2-methylphenoxy)benzaldehyde
CID 13066662

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzaldehyde?
The IUPAC name of 2-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzaldehyde (CID 141035604) is 2-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzaldehyde.
What is the SMILES notation for 2-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzaldehyde?
The canonical SMILES for 2-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzaldehyde is COc1c(C=O)cccc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C.
What is the InChIKey of 2-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzaldehyde?
The InChIKey is UBZGMHBMJYRSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O2/c1-15-12-19-20(23(4,5)11-10-22(19,2)3)13-18(15)17-9-7-8-16(14-24)21(17)25-6/h7-9,12-14H,10-11H2,1-6H3.
What are the key properties of 2-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzaldehyde?
2-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzaldehyde has a molecular weight of 336.48 g/mol, XLogP of 5.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzaldehyde is sourced from PubChem (CID 141035604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).