(E)-2-ethyl-2-[(4-methoxyphenyl)methoxy]-3-methyl-5-phenylpent-4-enoic acid

C22H26O4 — CID 102444037

IUPAC(E)-2-ethyl-2-[(4-methoxyphenyl)methoxy]-3-methyl-5-phenylpent-4-enoic acid
SMILESCCC(OCc1ccc(OC)cc1)(C(=O)O)C(C)/C=C/c1ccccc1
InChIInChI=1S/C22H26O4/c1-4-22(21(23)24,17(2)10-11-18-8-6-5-7-9-18)26-16-19-12-14-20(25-3)15-13-19/h5-15,17H,4,16H2,1-3H3,(H,23,24)/b11-10+
InChIKeyRRJWFLMUDUCVJV-ZHACJKMWSA-N
MW354.45 g/mol
LogP4.79
Rot. Bonds9

About (E)-2-ethyl-2-[(4-methoxyphenyl)methoxy]-3-methyl-5-phenylpent-4-enoic acid

(E)-2-ethyl-2-[(4-methoxyphenyl)methoxy]-3-methyl-5-phenylpent-4-enoic acid (PubChem CID 102444037) has the molecular formula C22H26O4 and a molecular weight of 354.45 g/mol. Its IUPAC name is (E)-2-ethyl-2-[(4-methoxyphenyl)methoxy]-3-methyl-5-phenylpent-4-enoic acid.

Molecular Properties

Compound Name(E)-2-ethyl-2-[(4-methoxyphenyl)methoxy]-3-methyl-5-phenylpent-4-enoic acid
PubChem CID102444037
Molecular FormulaC22H26O4
Molecular Weight354.45 g/mol
Exact Mass354.18
IUPAC Name(E)-2-ethyl-2-[(4-methoxyphenyl)methoxy]-3-methyl-5-phenylpent-4-enoic acid
SMILESCCC(OCc1ccc(OC)cc1)(C(=O)O)C(C)/C=C/c1ccccc1
InChIInChI=1S/C22H26O4/c1-4-22(21(23)24,17(2)10-11-18-8-6-5-7-9-18)26-16-19-12-14-20(25-3)15-13-19/h5-15,17H,4,16H2,1-3H3,(H,23,24)/b11-10+
InChIKeyRRJWFLMUDUCVJV-ZHACJKMWSA-N
XLogP4.79
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-diethyl-2,5-bis[(4-methoxyphenyl)methoxy]-3,4-bis[(E)-2-phenylethenyl]hexanedioic acid
CID 102444036
(E,4S)-4-(4-methoxyphenoxy)-3-methylidene-6-phenylhex-5-en-2-one
CID 101436080
(4-methoxyphenyl)methyl N-(2-phenylethenyl)carbamate
CID 4271861
(4-phenylphenyl)methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 7872590
(3S)-4-[(4-methoxyphenyl)methoxy]-3-methyl-1-phenylmethoxybutan-2-one
CID 10860440
2-ethyl-2-[(4-methoxyphenyl)methyl]butanoic acid
CID 79015562
ethyl (E,2S,3R)-2-acetyl-5-(4-methoxyphenyl)-2,3-dimethylpent-4-enoate
CID 102471778
1-[(4-methoxyphenyl)methoxy]-2-methylpentan-3-one
CID 58822506
1-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 11206354
benzyl (2S)-2-[3-(4-methoxyphenyl)prop-2-enoyl-methylamino]propanoate
CID 54166245
methyl (E)-2-ethyl-4-phenylbut-3-enoate
CID 23244812
1-[(4-methoxyphenyl)methyl]-3-[(E)-2-phenylethenyl]urea
CID 108903141

Frequently Asked Questions

What is the IUPAC name of (E)-2-ethyl-2-[(4-methoxyphenyl)methoxy]-3-methyl-5-phenylpent-4-enoic acid?
The IUPAC name of (E)-2-ethyl-2-[(4-methoxyphenyl)methoxy]-3-methyl-5-phenylpent-4-enoic acid (CID 102444037) is (E)-2-ethyl-2-[(4-methoxyphenyl)methoxy]-3-methyl-5-phenylpent-4-enoic acid.
What is the SMILES notation for (E)-2-ethyl-2-[(4-methoxyphenyl)methoxy]-3-methyl-5-phenylpent-4-enoic acid?
The canonical SMILES for (E)-2-ethyl-2-[(4-methoxyphenyl)methoxy]-3-methyl-5-phenylpent-4-enoic acid is CCC(OCc1ccc(OC)cc1)(C(=O)O)C(C)/C=C/c1ccccc1.
What is the InChIKey of (E)-2-ethyl-2-[(4-methoxyphenyl)methoxy]-3-methyl-5-phenylpent-4-enoic acid?
The InChIKey is RRJWFLMUDUCVJV-ZHACJKMWSA-N. The full InChI is InChI=1S/C22H26O4/c1-4-22(21(23)24,17(2)10-11-18-8-6-5-7-9-18)26-16-19-12-14-20(25-3)15-13-19/h5-15,17H,4,16H2,1-3H3,(H,23,24)/b11-10+.
What are the key properties of (E)-2-ethyl-2-[(4-methoxyphenyl)methoxy]-3-methyl-5-phenylpent-4-enoic acid?
(E)-2-ethyl-2-[(4-methoxyphenyl)methoxy]-3-methyl-5-phenylpent-4-enoic acid has a molecular weight of 354.45 g/mol, XLogP of 4.79, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethyl-2-[(4-methoxyphenyl)methoxy]-3-methyl-5-phenylpent-4-enoic acid is sourced from PubChem (CID 102444037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).