(1R)-4-(4-methoxyphenyl)-2,2-dimethylcyclohex-3-ene-1-carboxylic acid

C16H20O3 — CID 125490358

IUPAC(1R)-4-(4-methoxyphenyl)-2,2-dimethylcyclohex-3-ene-1-carboxylic acid
SMILESCOc1ccc(C2=CC(C)(C)[C@H](C(=O)O)CC2)cc1
InChIInChI=1S/C16H20O3/c1-16(2)10-12(6-9-14(16)15(17)18)11-4-7-13(19-3)8-5-11/h4-5,7-8,10,14H,6,9H2,1-3H3,(H,17,18)/t14-/m0/s1
InChIKeyFUPRVLBWEXJBBW-AWEZNQCLSA-N
MW260.33 g/mol
LogP3.60
Rot. Bonds3

About (1R)-4-(4-methoxyphenyl)-2,2-dimethylcyclohex-3-ene-1-carboxylic acid

(1R)-4-(4-methoxyphenyl)-2,2-dimethylcyclohex-3-ene-1-carboxylic acid (PubChem CID 125490358) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is (1R)-4-(4-methoxyphenyl)-2,2-dimethylcyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name(1R)-4-(4-methoxyphenyl)-2,2-dimethylcyclohex-3-ene-1-carboxylic acid
PubChem CID125490358
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name(1R)-4-(4-methoxyphenyl)-2,2-dimethylcyclohex-3-ene-1-carboxylic acid
SMILESCOc1ccc(C2=CC(C)(C)[C@H](C(=O)O)CC2)cc1
InChIInChI=1S/C16H20O3/c1-16(2)10-12(6-9-14(16)15(17)18)11-4-7-13(19-3)8-5-11/h4-5,7-8,10,14H,6,9H2,1-3H3,(H,17,18)/t14-/m0/s1
InChIKeyFUPRVLBWEXJBBW-AWEZNQCLSA-N
XLogP3.60
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-4-(4-methoxyphenyl)-2,2,6,6-tetramethylcyclohex-3-ene-1-carboxylic acid
CID 125490306
(1S)-2,2-bis(4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 129362220
2-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxylic acid
CID 63271050
2-(6-methoxynaphthalen-2-yl)-2-methylcyclopropane-1-carboxylic acid
CID 62387826
[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
3-(4-methoxyphenyl)-2,2-dimethylcyclopentan-1-one
CID 102450234
1-methoxy-4-(4-methylcyclohexen-1-yl)benzene
CID 3765590
[3-(4-methoxyphenyl)cyclobut-2-en-1-yl]methanol
CID 135075425
(1S,10S,11S,13S,14S)-5-methoxy-14-methyltetracyclo[8.6.0.02,7.011,14]hexadeca-2(7),3,5-triene-13-carboxylic acid
CID 24983149
3-(4-methoxyphenoxy)carbonyl-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 11645188
dimethyl 3-(4-methoxyphenyl)cyclopent-3-ene-1,1-dicarboxylate
CID 10902346

Frequently Asked Questions

What is the IUPAC name of (1R)-4-(4-methoxyphenyl)-2,2-dimethylcyclohex-3-ene-1-carboxylic acid?
The IUPAC name of (1R)-4-(4-methoxyphenyl)-2,2-dimethylcyclohex-3-ene-1-carboxylic acid (CID 125490358) is (1R)-4-(4-methoxyphenyl)-2,2-dimethylcyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for (1R)-4-(4-methoxyphenyl)-2,2-dimethylcyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for (1R)-4-(4-methoxyphenyl)-2,2-dimethylcyclohex-3-ene-1-carboxylic acid is COc1ccc(C2=CC(C)(C)[C@H](C(=O)O)CC2)cc1.
What is the InChIKey of (1R)-4-(4-methoxyphenyl)-2,2-dimethylcyclohex-3-ene-1-carboxylic acid?
The InChIKey is FUPRVLBWEXJBBW-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20O3/c1-16(2)10-12(6-9-14(16)15(17)18)11-4-7-13(19-3)8-5-11/h4-5,7-8,10,14H,6,9H2,1-3H3,(H,17,18)/t14-/m0/s1.
What are the key properties of (1R)-4-(4-methoxyphenyl)-2,2-dimethylcyclohex-3-ene-1-carboxylic acid?
(1R)-4-(4-methoxyphenyl)-2,2-dimethylcyclohex-3-ene-1-carboxylic acid has a molecular weight of 260.33 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-(4-methoxyphenyl)-2,2-dimethylcyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 125490358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).