(1R,2R)-2-(4-methoxyphenyl)cyclohex-3-ene-1,3-dicarbaldehyde

C15H16O3 — CID 102406668

IUPAC(1R,2R)-2-(4-methoxyphenyl)cyclohex-3-ene-1,3-dicarbaldehyde
SMILESCOc1ccc([C@@H]2C(C=O)=CCC[C@H]2C=O)cc1
InChIInChI=1S/C15H16O3/c1-18-14-7-5-11(6-8-14)15-12(9-16)3-2-4-13(15)10-17/h3,5-10,13,15H,2,4H2,1H3/t13-,15+/m0/s1
InChIKeyRKPAGLWVNBABII-DZGCQCFKSA-N
MW244.29 g/mol
LogP2.51
Rot. Bonds4

About (1R,2R)-2-(4-methoxyphenyl)cyclohex-3-ene-1,3-dicarbaldehyde

(1R,2R)-2-(4-methoxyphenyl)cyclohex-3-ene-1,3-dicarbaldehyde (PubChem CID 102406668) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is (1R,2R)-2-(4-methoxyphenyl)cyclohex-3-ene-1,3-dicarbaldehyde.

Molecular Properties

Compound Name(1R,2R)-2-(4-methoxyphenyl)cyclohex-3-ene-1,3-dicarbaldehyde
PubChem CID102406668
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name(1R,2R)-2-(4-methoxyphenyl)cyclohex-3-ene-1,3-dicarbaldehyde
SMILESCOc1ccc([C@@H]2C(C=O)=CCC[C@H]2C=O)cc1
InChIInChI=1S/C15H16O3/c1-18-14-7-5-11(6-8-14)15-12(9-16)3-2-4-13(15)10-17/h3,5-10,13,15H,2,4H2,1H3/t13-,15+/m0/s1
InChIKeyRKPAGLWVNBABII-DZGCQCFKSA-N
XLogP2.51
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.51
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

2-(4-methoxyphenyl)oxolane-3-carbaldehyde
CID 2763136
cis-(1S,2R)-2-tert-butyl-4-(4-methoxyphenyl)-3-oxocyclobutane-1-carbaldehyde
CID 10934221
7-(4-methoxyphenyl)-2-oxo-3,5,6,7-tetrahydrothiopyrano[2,3-d][1,3]thiazole-6-carbaldehyde
CID 3736860
(5S,6S,7R)-7-(4-methoxyphenyl)-5-methyl-2-oxo-3,5,6,7-tetrahydrothiopyrano[2,3-d][1,3]thiazole-6-carbaldehyde
CID 51428425
1-[(1R)-2-iodocyclopent-2-en-1-yl]-4-methoxybenzene
CID 101343344
tert-butyl 4-formyl-5-(4-methoxyphenyl)azepane-1-carboxylate
CID 175460460
1-[(4-methoxyphenyl)methyl]-5-oxo-4-phenylpyrrolidine-3-carbaldehyde
CID 138523430
7-(4-methoxyphenyl)-2-sulfanylidene-3,5,6,7-tetrahydrothiopyrano[2,3-d][1,3]thiazole-6-carbaldehyde
CID 18866060
cis-(1S,2R)-2-[(4-methoxyphenyl)methoxymethyl]cyclopropane-1-carbaldehyde
CID 102072898
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
1-methoxy-4-[2-(4-methoxyphenyl)cyclohexyl]benzene
CID 101244821
4-[1,3,6,8-tetramethoxy-10-(4-methoxyphenyl)-4b,5,9b,10-tetrahydroindeno[2,3-a]inden-5-yl]benzaldehyde
CID 59611719

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-(4-methoxyphenyl)cyclohex-3-ene-1,3-dicarbaldehyde?
The IUPAC name of (1R,2R)-2-(4-methoxyphenyl)cyclohex-3-ene-1,3-dicarbaldehyde (CID 102406668) is (1R,2R)-2-(4-methoxyphenyl)cyclohex-3-ene-1,3-dicarbaldehyde.
What is the SMILES notation for (1R,2R)-2-(4-methoxyphenyl)cyclohex-3-ene-1,3-dicarbaldehyde?
The canonical SMILES for (1R,2R)-2-(4-methoxyphenyl)cyclohex-3-ene-1,3-dicarbaldehyde is COc1ccc([C@@H]2C(C=O)=CCC[C@H]2C=O)cc1.
What is the InChIKey of (1R,2R)-2-(4-methoxyphenyl)cyclohex-3-ene-1,3-dicarbaldehyde?
The InChIKey is RKPAGLWVNBABII-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H16O3/c1-18-14-7-5-11(6-8-14)15-12(9-16)3-2-4-13(15)10-17/h3,5-10,13,15H,2,4H2,1H3/t13-,15+/m0/s1.
What are the key properties of (1R,2R)-2-(4-methoxyphenyl)cyclohex-3-ene-1,3-dicarbaldehyde?
(1R,2R)-2-(4-methoxyphenyl)cyclohex-3-ene-1,3-dicarbaldehyde has a molecular weight of 244.29 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-(4-methoxyphenyl)cyclohex-3-ene-1,3-dicarbaldehyde is sourced from PubChem (CID 102406668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).