(E)-2-methyl-3-(2-methylnaphthalen-1-yl)prop-2-enoic acid

C15H14O2 — CID 170873203

IUPAC(E)-2-methyl-3-(2-methylnaphthalen-1-yl)prop-2-enoic acid
SMILESC/C(=C\c1c(C)ccc2ccccc12)C(=O)O
InChIInChI=1S/C15H14O2/c1-10-7-8-12-5-3-4-6-13(12)14(10)9-11(2)15(16)17/h3-9H,1-2H3,(H,16,17)/b11-9+
InChIKeyOZIUMXUVZDCFLO-PKNBQFBNSA-N
MW226.27 g/mol
LogP3.64
Rot. Bonds2

About (E)-2-methyl-3-(2-methylnaphthalen-1-yl)prop-2-enoic acid

(E)-2-methyl-3-(2-methylnaphthalen-1-yl)prop-2-enoic acid (PubChem CID 170873203) has the molecular formula C15H14O2 and a molecular weight of 226.27 g/mol. Its IUPAC name is (E)-2-methyl-3-(2-methylnaphthalen-1-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-2-methyl-3-(2-methylnaphthalen-1-yl)prop-2-enoic acid
PubChem CID170873203
Molecular FormulaC15H14O2
Molecular Weight226.27 g/mol
Exact Mass226.10
IUPAC Name(E)-2-methyl-3-(2-methylnaphthalen-1-yl)prop-2-enoic acid
SMILESC/C(=C\c1c(C)ccc2ccccc12)C(=O)O
InChIInChI=1S/C15H14O2/c1-10-7-8-12-5-3-4-6-13(12)14(10)9-11(2)15(16)17/h3-9H,1-2H3,(H,16,17)/b11-9+
InChIKeyOZIUMXUVZDCFLO-PKNBQFBNSA-N
XLogP3.64
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(2-methylnaphthalen-1-yl)prop-1-en-2-amine
CID 155088802
2-methyl-3-(2-nitronaphthalen-1-yl)prop-2-enoic acid
CID 70217012
2-methylnaphthalene-1-carbaldehyde;sulfane
CID 157328712
(E)-3-(2-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide
CID 142635275
(E)-2-methyl-3-(2-methyl-1H-indol-3-yl)prop-2-enoic acid
CID 116866126
(E)-3-(1,4-dimethoxy-3-methylnaphthalen-2-yl)-2-methylprop-2-enoic acid
CID 46180244
2-methyl-1-prop-1-enylnaphthalene
CID 123646968
3-(2-methylnaphthalen-1-yl)prop-2-enal
CID 169459674
methyl (E)-3-(2-hydroxynaphthalen-1-yl)-2-methylprop-2-enoate
CID 134891901
(E)-3-[4-[(E)-2-carboxyprop-1-enyl]naphthalen-2-yl]-2-methylprop-2-enoic acid
CID 67681163
(E)-3-(2-chloro-1H-indol-3-yl)-2-methylprop-2-enoic acid
CID 10376801
acetic acid;chrysene
CID 175201446

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-3-(2-methylnaphthalen-1-yl)prop-2-enoic acid?
The IUPAC name of (E)-2-methyl-3-(2-methylnaphthalen-1-yl)prop-2-enoic acid (CID 170873203) is (E)-2-methyl-3-(2-methylnaphthalen-1-yl)prop-2-enoic acid.
What is the SMILES notation for (E)-2-methyl-3-(2-methylnaphthalen-1-yl)prop-2-enoic acid?
The canonical SMILES for (E)-2-methyl-3-(2-methylnaphthalen-1-yl)prop-2-enoic acid is C/C(=C\c1c(C)ccc2ccccc12)C(=O)O.
What is the InChIKey of (E)-2-methyl-3-(2-methylnaphthalen-1-yl)prop-2-enoic acid?
The InChIKey is OZIUMXUVZDCFLO-PKNBQFBNSA-N. The full InChI is InChI=1S/C15H14O2/c1-10-7-8-12-5-3-4-6-13(12)14(10)9-11(2)15(16)17/h3-9H,1-2H3,(H,16,17)/b11-9+.
What are the key properties of (E)-2-methyl-3-(2-methylnaphthalen-1-yl)prop-2-enoic acid?
(E)-2-methyl-3-(2-methylnaphthalen-1-yl)prop-2-enoic acid has a molecular weight of 226.27 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-3-(2-methylnaphthalen-1-yl)prop-2-enoic acid is sourced from PubChem (CID 170873203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).