(Z)-3-(6-methoxynaphthalen-2-yl)but-2-enal

C15H14O2 — CID 42611332

IUPAC(Z)-3-(6-methoxynaphthalen-2-yl)but-2-enal
SMILESCOc1ccc2cc(/C(C)=C\C=O)ccc2c1
InChIInChI=1S/C15H14O2/c1-11(7-8-16)12-3-4-14-10-15(17-2)6-5-13(14)9-12/h3-10H,1-2H3/b11-7-
InChIKeySZQAYKCUWGBMMO-XFFZJAGNSA-N
MW226.27 g/mol
LogP3.45
Rot. Bonds3

About (Z)-3-(6-methoxynaphthalen-2-yl)but-2-enal

(Z)-3-(6-methoxynaphthalen-2-yl)but-2-enal (PubChem CID 42611332) has the molecular formula C15H14O2 and a molecular weight of 226.27 g/mol. Its IUPAC name is (Z)-3-(6-methoxynaphthalen-2-yl)but-2-enal.

Molecular Properties

Compound Name(Z)-3-(6-methoxynaphthalen-2-yl)but-2-enal
PubChem CID42611332
Molecular FormulaC15H14O2
Molecular Weight226.27 g/mol
Exact Mass226.10
IUPAC Name(Z)-3-(6-methoxynaphthalen-2-yl)but-2-enal
SMILESCOc1ccc2cc(/C(C)=C\C=O)ccc2c1
InChIInChI=1S/C15H14O2/c1-11(7-8-16)12-3-4-14-10-15(17-2)6-5-13(14)9-12/h3-10H,1-2H3/b11-7-
InChIKeySZQAYKCUWGBMMO-XFFZJAGNSA-N
XLogP3.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(3,5-dimethoxyphenyl)but-2-enal
CID 57055775
3-(6-methoxynaphthalen-2-yl)but-2-enenitrile
CID 76913798
(Z)-3-(4-methoxyphenyl)-3-sulfanylprop-2-enal
CID 14530924
2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethanone
CID 24726833
3-(6-methoxynaphthalen-2-yl)but-3-en-2-one
CID 142826310
ethyl N-[(E)-2-(6-methoxynaphthalen-2-yl)prop-1-enyl]carbamate
CID 10424062
2-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-6-methoxynaphthalene
CID 143060340
(Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enal
CID 14547230
2,2,3,3,3-pentafluoro-1-(6-methoxynaphthalen-2-yl)propan-1-one
CID 103750502
(E)-2-(6-methoxynaphthalen-2-yl)-3-phenylprop-2-enal
CID 71812647
1-[4-(6-methoxynaphthalen-2-yl)phenyl]ethanone;1-(4-methoxyphenyl)ethanone
CID 91415101
3-(6-methoxynaphthalen-2-yl)-2-methylprop-2-enal
CID 79331403

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(6-methoxynaphthalen-2-yl)but-2-enal?
The IUPAC name of (Z)-3-(6-methoxynaphthalen-2-yl)but-2-enal (CID 42611332) is (Z)-3-(6-methoxynaphthalen-2-yl)but-2-enal.
What is the SMILES notation for (Z)-3-(6-methoxynaphthalen-2-yl)but-2-enal?
The canonical SMILES for (Z)-3-(6-methoxynaphthalen-2-yl)but-2-enal is COc1ccc2cc(/C(C)=C\C=O)ccc2c1.
What is the InChIKey of (Z)-3-(6-methoxynaphthalen-2-yl)but-2-enal?
The InChIKey is SZQAYKCUWGBMMO-XFFZJAGNSA-N. The full InChI is InChI=1S/C15H14O2/c1-11(7-8-16)12-3-4-14-10-15(17-2)6-5-13(14)9-12/h3-10H,1-2H3/b11-7-.
What are the key properties of (Z)-3-(6-methoxynaphthalen-2-yl)but-2-enal?
(Z)-3-(6-methoxynaphthalen-2-yl)but-2-enal has a molecular weight of 226.27 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(6-methoxynaphthalen-2-yl)but-2-enal is sourced from PubChem (CID 42611332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).