(E)-3-[10-(4-methoxyphenyl)anthracen-9-yl]prop-2-enoic acid

C24H18O3 — CID 132506737

IUPAC(E)-3-[10-(4-methoxyphenyl)anthracen-9-yl]prop-2-enoic acid
SMILESCOc1ccc(-c2c3ccccc3c(/C=C/C(=O)O)c3ccccc23)cc1
InChIInChI=1S/C24H18O3/c1-27-17-12-10-16(11-13-17)24-21-8-4-2-6-18(21)20(14-15-23(25)26)19-7-3-5-9-22(19)24/h2-15H,1H3,(H,25,26)/b15-14+
InChIKeyXIINEHYNOZVGER-CCEZHUSRSA-N
MW354.41 g/mol
LogP5.77
Rot. Bonds4

About (E)-3-[10-(4-methoxyphenyl)anthracen-9-yl]prop-2-enoic acid

(E)-3-[10-(4-methoxyphenyl)anthracen-9-yl]prop-2-enoic acid (PubChem CID 132506737) has the molecular formula C24H18O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is (E)-3-[10-(4-methoxyphenyl)anthracen-9-yl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[10-(4-methoxyphenyl)anthracen-9-yl]prop-2-enoic acid
PubChem CID132506737
Molecular FormulaC24H18O3
Molecular Weight354.41 g/mol
Exact Mass354.13
IUPAC Name(E)-3-[10-(4-methoxyphenyl)anthracen-9-yl]prop-2-enoic acid
SMILESCOc1ccc(-c2c3ccccc3c(/C=C/C(=O)O)c3ccccc23)cc1
InChIInChI=1S/C24H18O3/c1-27-17-12-10-16(11-13-17)24-21-8-4-2-6-18(21)20(14-15-23(25)26)19-7-3-5-9-22(19)24/h2-15H,1H3,(H,25,26)/b15-14+
InChIKeyXIINEHYNOZVGER-CCEZHUSRSA-N
XLogP5.77
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.41
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

azane;3-(4-methoxyphenyl)prop-2-enoic acid
CID 69170701
CID 69129935
CID 69129935
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(E)-3-[5-(4-methoxyphenyl)thiophen-2-yl]prop-2-enoic acid
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3-[4-(4-methoxyphenoxy)phenyl]prop-2-enoic acid
CID 20993961
3-[5-(4-methoxyphenyl)furan-2-yl]prop-2-enoic acid
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1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
9-(2-methoxyphenyl)-10-(4-methoxyphenyl)anthracene
CID 11523963
9-(4-methoxyphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene
CID 122370617
9,10-bis(3,5-dimethoxyphenyl)anthracene
CID 11961931
(E)-3-[5,6-bis(4-methoxyphenyl)-2-pyridinyl]prop-2-enoic acid
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CID 95560580

Frequently Asked Questions

What is the IUPAC name of (E)-3-[10-(4-methoxyphenyl)anthracen-9-yl]prop-2-enoic acid?
The IUPAC name of (E)-3-[10-(4-methoxyphenyl)anthracen-9-yl]prop-2-enoic acid (CID 132506737) is (E)-3-[10-(4-methoxyphenyl)anthracen-9-yl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[10-(4-methoxyphenyl)anthracen-9-yl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[10-(4-methoxyphenyl)anthracen-9-yl]prop-2-enoic acid is COc1ccc(-c2c3ccccc3c(/C=C/C(=O)O)c3ccccc23)cc1.
What is the InChIKey of (E)-3-[10-(4-methoxyphenyl)anthracen-9-yl]prop-2-enoic acid?
The InChIKey is XIINEHYNOZVGER-CCEZHUSRSA-N. The full InChI is InChI=1S/C24H18O3/c1-27-17-12-10-16(11-13-17)24-21-8-4-2-6-18(21)20(14-15-23(25)26)19-7-3-5-9-22(19)24/h2-15H,1H3,(H,25,26)/b15-14+.
What are the key properties of (E)-3-[10-(4-methoxyphenyl)anthracen-9-yl]prop-2-enoic acid?
(E)-3-[10-(4-methoxyphenyl)anthracen-9-yl]prop-2-enoic acid has a molecular weight of 354.41 g/mol, XLogP of 5.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[10-(4-methoxyphenyl)anthracen-9-yl]prop-2-enoic acid is sourced from PubChem (CID 132506737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).