2-(6-methoxynaphthalen-1-yl)-2-methylpropanal

C15H16O2 — CID 105485586

IUPAC2-(6-methoxynaphthalen-1-yl)-2-methylpropanal
SMILESCOc1ccc2c(C(C)(C)C=O)cccc2c1
InChIInChI=1S/C15H16O2/c1-15(2,10-16)14-6-4-5-11-9-12(17-3)7-8-13(11)14/h4-10H,1-3H3
InChIKeyDPSFJQSYNQFWJC-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.32
Rot. Bonds3

About 2-(6-methoxynaphthalen-1-yl)-2-methylpropanal

2-(6-methoxynaphthalen-1-yl)-2-methylpropanal (PubChem CID 105485586) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(6-methoxynaphthalen-1-yl)-2-methylpropanal.

Molecular Properties

Compound Name2-(6-methoxynaphthalen-1-yl)-2-methylpropanal
PubChem CID105485586
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name2-(6-methoxynaphthalen-1-yl)-2-methylpropanal
SMILESCOc1ccc2c(C(C)(C)C=O)cccc2c1
InChIInChI=1S/C15H16O2/c1-15(2,10-16)14-6-4-5-11-9-12(17-3)7-8-13(11)14/h4-10H,1-3H3
InChIKeyDPSFJQSYNQFWJC-UHFFFAOYSA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.32
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

2-(2,5-dimethoxyphenyl)-2-methylpropanal
CID 82077627
7,20-dimethoxyhexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene
CID 58411039
dihydroxy(oxo)phosphanium;6-methoxy-1-(3-methoxypentan-3-yl)naphthalene
CID 67631254
1-tert-butyl-7-methoxynaphthalene
CID 608110
tert-butyl N-(6-methoxynaphthalen-1-yl)carbamate
CID 12843045
6-methoxy-N-methylnaphthalen-1-amine
CID 15933755
2-(6-methoxynaphthalen-1-yl)acetic acid
CID 10398394
3-methoxychrysene-5-carbaldehyde
CID 25194479
(6-methoxynaphthalen-1-yl)methanethiol
CID 45117105
(6-methoxynaphthalen-1-yl) acetate
CID 11424471
2-(8-hydroxynaphthalen-1-yl)-2-methylpropanal
CID 105467577
9,10-bis[2-(6-methoxynaphthalen-1-yl)ethynyl]anthracene
CID 131997735

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxynaphthalen-1-yl)-2-methylpropanal?
The IUPAC name of 2-(6-methoxynaphthalen-1-yl)-2-methylpropanal (CID 105485586) is 2-(6-methoxynaphthalen-1-yl)-2-methylpropanal.
What is the SMILES notation for 2-(6-methoxynaphthalen-1-yl)-2-methylpropanal?
The canonical SMILES for 2-(6-methoxynaphthalen-1-yl)-2-methylpropanal is COc1ccc2c(C(C)(C)C=O)cccc2c1.
What is the InChIKey of 2-(6-methoxynaphthalen-1-yl)-2-methylpropanal?
The InChIKey is DPSFJQSYNQFWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-15(2,10-16)14-6-4-5-11-9-12(17-3)7-8-13(11)14/h4-10H,1-3H3.
What are the key properties of 2-(6-methoxynaphthalen-1-yl)-2-methylpropanal?
2-(6-methoxynaphthalen-1-yl)-2-methylpropanal has a molecular weight of 228.29 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxynaphthalen-1-yl)-2-methylpropanal is sourced from PubChem (CID 105485586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).