(1S)-4-(4-methoxyphenyl)-2,2,6,6-tetramethylcyclohex-3-ene-1-carboxylic acid

C18H24O3 — CID 125490306

IUPAC(1S)-4-(4-methoxyphenyl)-2,2,6,6-tetramethylcyclohex-3-ene-1-carboxylic acid
SMILESCOc1ccc(C2=CC(C)(C)[C@@H](C(=O)O)C(C)(C)C2)cc1
InChIInChI=1S/C18H24O3/c1-17(2)10-13(11-18(3,4)15(17)16(19)20)12-6-8-14(21-5)9-7-12/h6-10,15H,11H2,1-5H3,(H,19,20)/t15-/m1/s1
InChIKeyCDWVUVXPGQOQJF-OAHLLOKOSA-N
MW288.39 g/mol
LogP4.24
Rot. Bonds3

About (1S)-4-(4-methoxyphenyl)-2,2,6,6-tetramethylcyclohex-3-ene-1-carboxylic acid

(1S)-4-(4-methoxyphenyl)-2,2,6,6-tetramethylcyclohex-3-ene-1-carboxylic acid (PubChem CID 125490306) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is (1S)-4-(4-methoxyphenyl)-2,2,6,6-tetramethylcyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name(1S)-4-(4-methoxyphenyl)-2,2,6,6-tetramethylcyclohex-3-ene-1-carboxylic acid
PubChem CID125490306
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Name(1S)-4-(4-methoxyphenyl)-2,2,6,6-tetramethylcyclohex-3-ene-1-carboxylic acid
SMILESCOc1ccc(C2=CC(C)(C)[C@@H](C(=O)O)C(C)(C)C2)cc1
InChIInChI=1S/C18H24O3/c1-17(2)10-13(11-18(3,4)15(17)16(19)20)12-6-8-14(21-5)9-7-12/h6-10,15H,11H2,1-5H3,(H,19,20)/t15-/m1/s1
InChIKeyCDWVUVXPGQOQJF-OAHLLOKOSA-N
XLogP4.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-4-(4-methoxyphenyl)-2,2-dimethylcyclohex-3-ene-1-carboxylic acid
CID 125490358
[2-hydroxy-2,4,6-tris(4-methoxyphenyl)-6-methylcyclohex-3-en-1-yl]-(4-methoxyphenyl)methanone
CID 2854083
[(1S,2R,6R)-2-hydroxy-2,4,6-tris(4-methoxyphenyl)-6-methylcyclohex-3-en-1-yl]-(4-methoxyphenyl)methanone
CID 124724468
5-(4-methoxyphenyl)pyridine-2-carboxylic acid
CID 52983912
2,4,6-tris[4-(4-methoxyphenyl)phenyl]-1,3,5-triazine
CID 20652062
dimethyl 3-(4-methoxyphenyl)cyclopent-3-ene-1,1-dicarboxylate
CID 10902346
(6-methoxynaphthalen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66477818
(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 1096397
[3-(4-methoxyphenyl)cyclobut-2-en-1-yl]methanol
CID 135075425
methyl 5-(4-methoxyphenyl)-3-methyl-2-phenyl-4H-pyrazole-3-carboxylate
CID 11472785
2-[2-(4-methoxyphenyl)-5,5-dimethylcyclopent-2-en-1-yl]-1-phenylethanone
CID 102147695
[1-[4-(4-methoxyphenyl)phenyl]cyclopropyl]carbamic acid
CID 121483236

Frequently Asked Questions

What is the IUPAC name of (1S)-4-(4-methoxyphenyl)-2,2,6,6-tetramethylcyclohex-3-ene-1-carboxylic acid?
The IUPAC name of (1S)-4-(4-methoxyphenyl)-2,2,6,6-tetramethylcyclohex-3-ene-1-carboxylic acid (CID 125490306) is (1S)-4-(4-methoxyphenyl)-2,2,6,6-tetramethylcyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for (1S)-4-(4-methoxyphenyl)-2,2,6,6-tetramethylcyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for (1S)-4-(4-methoxyphenyl)-2,2,6,6-tetramethylcyclohex-3-ene-1-carboxylic acid is COc1ccc(C2=CC(C)(C)[C@@H](C(=O)O)C(C)(C)C2)cc1.
What is the InChIKey of (1S)-4-(4-methoxyphenyl)-2,2,6,6-tetramethylcyclohex-3-ene-1-carboxylic acid?
The InChIKey is CDWVUVXPGQOQJF-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24O3/c1-17(2)10-13(11-18(3,4)15(17)16(19)20)12-6-8-14(21-5)9-7-12/h6-10,15H,11H2,1-5H3,(H,19,20)/t15-/m1/s1.
What are the key properties of (1S)-4-(4-methoxyphenyl)-2,2,6,6-tetramethylcyclohex-3-ene-1-carboxylic acid?
(1S)-4-(4-methoxyphenyl)-2,2,6,6-tetramethylcyclohex-3-ene-1-carboxylic acid has a molecular weight of 288.39 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-(4-methoxyphenyl)-2,2,6,6-tetramethylcyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 125490306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).