(E)-5-phenyl-2-[2-(4-phenylmethoxyphenyl)ethyl]pent-4-enoic acid

C26H26O3 — CID 68653712

IUPAC(E)-5-phenyl-2-[2-(4-phenylmethoxyphenyl)ethyl]pent-4-enoic acid
SMILESO=C(O)C(C/C=C/c1ccccc1)CCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C26H26O3/c27-26(28)24(13-7-12-21-8-3-1-4-9-21)17-14-22-15-18-25(19-16-22)29-20-23-10-5-2-6-11-23/h1-12,15-16,18-19,24H,13-14,17,20H2,(H,27,28)/b12-7+
InChIKeyKMFSSIWDUSEXNZ-KPKJPENVSA-N
MW386.49 g/mol
LogP6.00
Rot. Bonds10

About (E)-5-phenyl-2-[2-(4-phenylmethoxyphenyl)ethyl]pent-4-enoic acid

(E)-5-phenyl-2-[2-(4-phenylmethoxyphenyl)ethyl]pent-4-enoic acid (PubChem CID 68653712) has the molecular formula C26H26O3 and a molecular weight of 386.49 g/mol. Its IUPAC name is (E)-5-phenyl-2-[2-(4-phenylmethoxyphenyl)ethyl]pent-4-enoic acid.

Molecular Properties

Compound Name(E)-5-phenyl-2-[2-(4-phenylmethoxyphenyl)ethyl]pent-4-enoic acid
PubChem CID68653712
Molecular FormulaC26H26O3
Molecular Weight386.49 g/mol
Exact Mass386.19
IUPAC Name(E)-5-phenyl-2-[2-(4-phenylmethoxyphenyl)ethyl]pent-4-enoic acid
SMILESO=C(O)C(C/C=C/c1ccccc1)CCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C26H26O3/c27-26(28)24(13-7-12-21-8-3-1-4-9-21)17-14-22-15-18-25(19-16-22)29-20-23-10-5-2-6-11-23/h1-12,15-16,18-19,24H,13-14,17,20H2,(H,27,28)/b12-7+
InChIKeyKMFSSIWDUSEXNZ-KPKJPENVSA-N
XLogP6.00
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.49
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enyl]pentanedioic acid
CID 89120399
2-methyl-5-(4-phenylmethoxyphenyl)pentanoic acid
CID 175893431
(2S)-2-[3-[4-(phenoxymethyl)phenyl]prop-2-enylamino]-3-phenylpropanoic acid
CID 90959902
3-hydroxy-5-(4-phenylmethoxyphenyl)pentanoic acid
CID 11381046
(2R)-4-methyl-2-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enyl]amino]pentanoic acid
CID 122037396
(2S)-4-(4-phenylmethoxyphenyl)butan-2-ol
CID 93002881
(1E,4E)-1,5-bis(4-phenylmethoxyphenyl)penta-1,4-dien-3-one
CID 6475153
(2R)-3-methyl-2-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enyl]amino]butanoic acid
CID 122124269
2-[2-[4-(3-cyanophenyl)phenyl]ethyl]-5-(4-phenylmethoxyphenyl)pentanoic acid
CID 46244427
3-(4-phenylmethoxyphenyl)prop-2-enoyl 3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 139936599
3-(4-phenylmethoxyphenyl)prop-2-enoyl chloride
CID 86156285
2-[2-(4-chlorophenyl)ethyl]-4-phenylbutanoic acid
CID 70553032

Frequently Asked Questions

What is the IUPAC name of (E)-5-phenyl-2-[2-(4-phenylmethoxyphenyl)ethyl]pent-4-enoic acid?
The IUPAC name of (E)-5-phenyl-2-[2-(4-phenylmethoxyphenyl)ethyl]pent-4-enoic acid (CID 68653712) is (E)-5-phenyl-2-[2-(4-phenylmethoxyphenyl)ethyl]pent-4-enoic acid.
What is the SMILES notation for (E)-5-phenyl-2-[2-(4-phenylmethoxyphenyl)ethyl]pent-4-enoic acid?
The canonical SMILES for (E)-5-phenyl-2-[2-(4-phenylmethoxyphenyl)ethyl]pent-4-enoic acid is O=C(O)C(C/C=C/c1ccccc1)CCc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (E)-5-phenyl-2-[2-(4-phenylmethoxyphenyl)ethyl]pent-4-enoic acid?
The InChIKey is KMFSSIWDUSEXNZ-KPKJPENVSA-N. The full InChI is InChI=1S/C26H26O3/c27-26(28)24(13-7-12-21-8-3-1-4-9-21)17-14-22-15-18-25(19-16-22)29-20-23-10-5-2-6-11-23/h1-12,15-16,18-19,24H,13-14,17,20H2,(H,27,28)/b12-7+.
What are the key properties of (E)-5-phenyl-2-[2-(4-phenylmethoxyphenyl)ethyl]pent-4-enoic acid?
(E)-5-phenyl-2-[2-(4-phenylmethoxyphenyl)ethyl]pent-4-enoic acid has a molecular weight of 386.49 g/mol, XLogP of 6.00, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-phenyl-2-[2-(4-phenylmethoxyphenyl)ethyl]pent-4-enoic acid is sourced from PubChem (CID 68653712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).