(Z)-2,3-bis(4-methylphenyl)-3-naphthalen-1-ylprop-2-enoic acid

C27H22O2 — CID 137447910

IUPAC(Z)-2,3-bis(4-methylphenyl)-3-naphthalen-1-ylprop-2-enoic acid
SMILESCc1ccc(/C(C(=O)O)=C(\c2ccc(C)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C27H22O2/c1-18-10-14-21(15-11-18)25(24-9-5-7-20-6-3-4-8-23(20)24)26(27(28)29)22-16-12-19(2)13-17-22/h3-17H,1-2H3,(H,28,29)/b26-25-
InChIKeySSUBPGUZJWUGTJ-QPLCGJKRSA-N
MW378.47 g/mol
LogP6.50
Rot. Bonds4

About (Z)-2,3-bis(4-methylphenyl)-3-naphthalen-1-ylprop-2-enoic acid

(Z)-2,3-bis(4-methylphenyl)-3-naphthalen-1-ylprop-2-enoic acid (PubChem CID 137447910) has the molecular formula C27H22O2 and a molecular weight of 378.47 g/mol. Its IUPAC name is (Z)-2,3-bis(4-methylphenyl)-3-naphthalen-1-ylprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2,3-bis(4-methylphenyl)-3-naphthalen-1-ylprop-2-enoic acid
PubChem CID137447910
Molecular FormulaC27H22O2
Molecular Weight378.47 g/mol
Exact Mass378.16
IUPAC Name(Z)-2,3-bis(4-methylphenyl)-3-naphthalen-1-ylprop-2-enoic acid
SMILESCc1ccc(/C(C(=O)O)=C(\c2ccc(C)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C27H22O2/c1-18-10-14-21(15-11-18)25(24-9-5-7-20-6-3-4-8-23(20)24)26(27(28)29)22-16-12-19(2)13-17-22/h3-17H,1-2H3,(H,28,29)/b26-25-
InChIKeySSUBPGUZJWUGTJ-QPLCGJKRSA-N
XLogP6.50
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.47
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(3,5-dimethylphenyl)-2,3-bis(4-methylphenyl)prop-2-enoic acid
CID 137447920
methanolate;bis(naphthalene-1-carboxylic acid);titanium(2+)
CID 91869033
naphthalen-1-yl-(4-phenylphenyl)methanone
CID 23218936
(1-aminonaphthalen-2-yl)-(4-methylphenyl)methanone
CID 67495002
(E)-4-hydroxy-3-naphthalen-1-ylpent-3-en-2-one
CID 15967864
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
(2,5-dimethylphenyl)-naphthalen-1-ylmethanone
CID 43337274
ethyl (Z)-2,3-bis(4-methylphenyl)-3-phenylprop-2-enoate
CID 177397823
(E)-2,3-bis(4-methylphenyl)but-2-enoic acid
CID 137447893
naphthalene-1-carboxylic acid;propanoic acid
CID 161134976
benzene-1,3,5-tricarboxylic acid;naphthalene-1-carboxylic acid
CID 70544806
2-methylbenzene-1,3-dicarboxylic acid;1-naphthalen-1-ylethanone
CID 174493325

Frequently Asked Questions

What is the IUPAC name of (Z)-2,3-bis(4-methylphenyl)-3-naphthalen-1-ylprop-2-enoic acid?
The IUPAC name of (Z)-2,3-bis(4-methylphenyl)-3-naphthalen-1-ylprop-2-enoic acid (CID 137447910) is (Z)-2,3-bis(4-methylphenyl)-3-naphthalen-1-ylprop-2-enoic acid.
What is the SMILES notation for (Z)-2,3-bis(4-methylphenyl)-3-naphthalen-1-ylprop-2-enoic acid?
The canonical SMILES for (Z)-2,3-bis(4-methylphenyl)-3-naphthalen-1-ylprop-2-enoic acid is Cc1ccc(/C(C(=O)O)=C(\c2ccc(C)cc2)c2cccc3ccccc23)cc1.
What is the InChIKey of (Z)-2,3-bis(4-methylphenyl)-3-naphthalen-1-ylprop-2-enoic acid?
The InChIKey is SSUBPGUZJWUGTJ-QPLCGJKRSA-N. The full InChI is InChI=1S/C27H22O2/c1-18-10-14-21(15-11-18)25(24-9-5-7-20-6-3-4-8-23(20)24)26(27(28)29)22-16-12-19(2)13-17-22/h3-17H,1-2H3,(H,28,29)/b26-25-.
What are the key properties of (Z)-2,3-bis(4-methylphenyl)-3-naphthalen-1-ylprop-2-enoic acid?
(Z)-2,3-bis(4-methylphenyl)-3-naphthalen-1-ylprop-2-enoic acid has a molecular weight of 378.47 g/mol, XLogP of 6.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3-bis(4-methylphenyl)-3-naphthalen-1-ylprop-2-enoic acid is sourced from PubChem (CID 137447910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).