(Z)-3-[2-[(E)-3-(3-methyl-2-phenylmethoxyphenyl)prop-2-enyl]phenyl]prop-2-enoic acid

C26H24O3 — CID 177394231

IUPAC(Z)-3-[2-[(E)-3-(3-methyl-2-phenylmethoxyphenyl)prop-2-enyl]phenyl]prop-2-enoic acid
SMILESCc1cccc(/C=C/Cc2ccccc2/C=C\C(=O)O)c1OCc1ccccc1
InChIInChI=1S/C26H24O3/c1-20-9-7-15-24(26(20)29-19-21-10-3-2-4-11-21)16-8-14-22-12-5-6-13-23(22)17-18-25(27)28/h2-13,15-18H,14,19H2,1H3,(H,27,28)/b16-8+,18-17-
InChIKeySHXKWDFUPJBYSD-YAWPIQLBSA-N
MW384.48 g/mol
LogP5.93
Rot. Bonds8

About (Z)-3-[2-[(E)-3-(3-methyl-2-phenylmethoxyphenyl)prop-2-enyl]phenyl]prop-2-enoic acid

(Z)-3-[2-[(E)-3-(3-methyl-2-phenylmethoxyphenyl)prop-2-enyl]phenyl]prop-2-enoic acid (PubChem CID 177394231) has the molecular formula C26H24O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is (Z)-3-[2-[(E)-3-(3-methyl-2-phenylmethoxyphenyl)prop-2-enyl]phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-[2-[(E)-3-(3-methyl-2-phenylmethoxyphenyl)prop-2-enyl]phenyl]prop-2-enoic acid
PubChem CID177394231
Molecular FormulaC26H24O3
Molecular Weight384.48 g/mol
Exact Mass384.17
IUPAC Name(Z)-3-[2-[(E)-3-(3-methyl-2-phenylmethoxyphenyl)prop-2-enyl]phenyl]prop-2-enoic acid
SMILESCc1cccc(/C=C/Cc2ccccc2/C=C\C(=O)O)c1OCc1ccccc1
InChIInChI=1S/C26H24O3/c1-20-9-7-15-24(26(20)29-19-21-10-3-2-4-11-21)16-8-14-22-12-5-6-13-23(22)17-18-25(27)28/h2-13,15-18H,14,19H2,1H3,(H,27,28)/b16-8+,18-17-
InChIKeySHXKWDFUPJBYSD-YAWPIQLBSA-N
XLogP5.93
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[3-methyl-2-(pyridin-4-ylmethoxy)phenyl]prop-2-enoic acid
CID 115957332
sodium 2-[3-(3-methyl-2-phenylmethoxyphenyl)prop-1-enyl]benzoate
CID 70194368
(E)-3-[2-[(3-chlorophenyl)methoxy]-3-methylphenyl]prop-2-enoic acid
CID 115957240
3-(3-bromo-2-phenylmethoxyphenyl)prop-2-enoic acid
CID 76899319
(E)-3-[2-[(E)-3-phenylprop-1-enyl]phenyl]prop-2-enoic acid;(E)-3-[2-[(E)-3-phenylprop-2-enyl]phenyl]prop-2-enoic acid
CID 52947851
(E)-3-[3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]prop-2-enoic acid
CID 115957279
(E)-3-[2-(2-fluoroethoxy)-3-methylphenyl]prop-2-enoic acid
CID 112614415
3-[2-[(2-methylphenoxy)methyl]phenyl]prop-2-enoic acid
CID 76908599
(E)-3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methylphenyl]prop-2-enoic acid
CID 115957207
3-[3-bromo-2-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 76997960
(E)-3-(2-benzylphenyl)prop-2-enoic acid
CID 22364524
3-[2-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 20992986

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[2-[(E)-3-(3-methyl-2-phenylmethoxyphenyl)prop-2-enyl]phenyl]prop-2-enoic acid?
The IUPAC name of (Z)-3-[2-[(E)-3-(3-methyl-2-phenylmethoxyphenyl)prop-2-enyl]phenyl]prop-2-enoic acid (CID 177394231) is (Z)-3-[2-[(E)-3-(3-methyl-2-phenylmethoxyphenyl)prop-2-enyl]phenyl]prop-2-enoic acid.
What is the SMILES notation for (Z)-3-[2-[(E)-3-(3-methyl-2-phenylmethoxyphenyl)prop-2-enyl]phenyl]prop-2-enoic acid?
The canonical SMILES for (Z)-3-[2-[(E)-3-(3-methyl-2-phenylmethoxyphenyl)prop-2-enyl]phenyl]prop-2-enoic acid is Cc1cccc(/C=C/Cc2ccccc2/C=C\C(=O)O)c1OCc1ccccc1.
What is the InChIKey of (Z)-3-[2-[(E)-3-(3-methyl-2-phenylmethoxyphenyl)prop-2-enyl]phenyl]prop-2-enoic acid?
The InChIKey is SHXKWDFUPJBYSD-YAWPIQLBSA-N. The full InChI is InChI=1S/C26H24O3/c1-20-9-7-15-24(26(20)29-19-21-10-3-2-4-11-21)16-8-14-22-12-5-6-13-23(22)17-18-25(27)28/h2-13,15-18H,14,19H2,1H3,(H,27,28)/b16-8+,18-17-.
What are the key properties of (Z)-3-[2-[(E)-3-(3-methyl-2-phenylmethoxyphenyl)prop-2-enyl]phenyl]prop-2-enoic acid?
(Z)-3-[2-[(E)-3-(3-methyl-2-phenylmethoxyphenyl)prop-2-enyl]phenyl]prop-2-enoic acid has a molecular weight of 384.48 g/mol, XLogP of 5.93, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[2-[(E)-3-(3-methyl-2-phenylmethoxyphenyl)prop-2-enyl]phenyl]prop-2-enoic acid is sourced from PubChem (CID 177394231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).