2-[6-(2-methoxy-4-prop-2-enylphenoxy)cyclohex-2-en-1-yl]acetic acid

C18H22O4 — CID 22395767

IUPAC2-[6-(2-methoxy-4-prop-2-enylphenoxy)cyclohex-2-en-1-yl]acetic acid
SMILESC=CCc1ccc(OC2CCC=CC2CC(=O)O)c(OC)c1
InChIInChI=1S/C18H22O4/c1-3-6-13-9-10-16(17(11-13)21-2)22-15-8-5-4-7-14(15)12-18(19)20/h3-4,7,9-11,14-15H,1,5-6,8,12H2,2H3,(H,19,20)
InChIKeyWJOVPEGJNIEINY-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.61
Rot. Bonds7

About 2-[6-(2-methoxy-4-prop-2-enylphenoxy)cyclohex-2-en-1-yl]acetic acid

2-[6-(2-methoxy-4-prop-2-enylphenoxy)cyclohex-2-en-1-yl]acetic acid (PubChem CID 22395767) has the molecular formula C18H22O4 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-[6-(2-methoxy-4-prop-2-enylphenoxy)cyclohex-2-en-1-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(2-methoxy-4-prop-2-enylphenoxy)cyclohex-2-en-1-yl]acetic acid
PubChem CID22395767
Molecular FormulaC18H22O4
Molecular Weight302.37 g/mol
Exact Mass302.15
IUPAC Name2-[6-(2-methoxy-4-prop-2-enylphenoxy)cyclohex-2-en-1-yl]acetic acid
SMILESC=CCc1ccc(OC2CCC=CC2CC(=O)O)c(OC)c1
InChIInChI=1S/C18H22O4/c1-3-6-13-9-10-16(17(11-13)21-2)22-15-8-5-4-7-14(15)12-18(19)20/h3-4,7,9-11,14-15H,1,5-6,8,12H2,2H3,(H,19,20)
InChIKeyWJOVPEGJNIEINY-UHFFFAOYSA-N
XLogP3.61
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-methoxy-4-prop-2-enylphenyl) formate
CID 24835
iron;(2-methoxy-4-prop-2-enylphenyl) formate
CID 174941140
acetic acid;(2-methoxy-4-prop-2-enylphenyl) acetate
CID 159570421
1,2-dimethoxy-4-prop-2-enylbenzene;ethane
CID 143927430
4-(2-methoxy-4-prop-2-enylphenoxy)piperidine
CID 56830913
(2-methoxy-4-prop-2-enylphenyl) adamantane-1-carboxylate
CID 4916755
2-(2-methoxy-4-prop-2-enylphenoxy)ethene-1,1-diol
CID 146301981
bis(2-methoxy-4-prop-2-enylphenyl) pentanedioate
CID 139030994
N-cyclohexyl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 18083381
(2-methoxy-4-prop-2-enylphenyl) (2S)-pyrrolidine-2-carboxylate
CID 142526411
(2-methoxy-4-prop-2-enylphenoxy)phosphane
CID 155424724
CID 70184126
CID 70184126

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-methoxy-4-prop-2-enylphenoxy)cyclohex-2-en-1-yl]acetic acid?
The IUPAC name of 2-[6-(2-methoxy-4-prop-2-enylphenoxy)cyclohex-2-en-1-yl]acetic acid (CID 22395767) is 2-[6-(2-methoxy-4-prop-2-enylphenoxy)cyclohex-2-en-1-yl]acetic acid.
What is the SMILES notation for 2-[6-(2-methoxy-4-prop-2-enylphenoxy)cyclohex-2-en-1-yl]acetic acid?
The canonical SMILES for 2-[6-(2-methoxy-4-prop-2-enylphenoxy)cyclohex-2-en-1-yl]acetic acid is C=CCc1ccc(OC2CCC=CC2CC(=O)O)c(OC)c1.
What is the InChIKey of 2-[6-(2-methoxy-4-prop-2-enylphenoxy)cyclohex-2-en-1-yl]acetic acid?
The InChIKey is WJOVPEGJNIEINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O4/c1-3-6-13-9-10-16(17(11-13)21-2)22-15-8-5-4-7-14(15)12-18(19)20/h3-4,7,9-11,14-15H,1,5-6,8,12H2,2H3,(H,19,20).
What are the key properties of 2-[6-(2-methoxy-4-prop-2-enylphenoxy)cyclohex-2-en-1-yl]acetic acid?
2-[6-(2-methoxy-4-prop-2-enylphenoxy)cyclohex-2-en-1-yl]acetic acid has a molecular weight of 302.37 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-methoxy-4-prop-2-enylphenoxy)cyclohex-2-en-1-yl]acetic acid is sourced from PubChem (CID 22395767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).