(E)-3-(6-methylnaphthalen-2-yl)prop-2-enoic acid

C14H12O2 — CID 116866093

IUPAC(E)-3-(6-methylnaphthalen-2-yl)prop-2-enoic acid
SMILESCc1ccc2cc(/C=C/C(=O)O)ccc2c1
InChIInChI=1S/C14H12O2/c1-10-2-5-13-9-11(4-7-14(15)16)3-6-12(13)8-10/h2-9H,1H3,(H,15,16)/b7-4+
InChIKeyOQJVLQUSKQWGOW-QPJJXVBHSA-N
MW212.25 g/mol
LogP3.25
Rot. Bonds2

About (E)-3-(6-methylnaphthalen-2-yl)prop-2-enoic acid

(E)-3-(6-methylnaphthalen-2-yl)prop-2-enoic acid (PubChem CID 116866093) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is (E)-3-(6-methylnaphthalen-2-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(6-methylnaphthalen-2-yl)prop-2-enoic acid
PubChem CID116866093
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name(E)-3-(6-methylnaphthalen-2-yl)prop-2-enoic acid
SMILESCc1ccc2cc(/C=C/C(=O)O)ccc2c1
InChIInChI=1S/C14H12O2/c1-10-2-5-13-9-11(4-7-14(15)16)3-6-12(13)8-10/h2-9H,1H3,(H,15,16)/b7-4+
InChIKeyOQJVLQUSKQWGOW-QPJJXVBHSA-N
XLogP3.25
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.25
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)-3-(4-methylphenyl)prop-2-enoic acid
CID 731767
6-[(E)-2-carboxyethenyl]naphthalen-2-olate
CID 54710469
(E)-3-isoquinolin-6-ylprop-2-enoic acid
CID 82580093
2-methyl-7-[(E)-2-(7-methylnaphthalen-2-yl)ethenyl]naphthalene
CID 6109061
(E)-3-[3-(3-methylphenyl)phenyl]prop-2-enoic acid
CID 87253241
(E)-4-(6-methylnaphthalen-2-yl)-4-oxobut-2-enoic acid
CID 6443879
(E)-3-(5-formyl-6-methylnaphthalen-2-yl)prop-2-enoic acid
CID 88947361
6-methylnaphthalene-2-carbaldehyde
CID 6452268
(2E,4E)-5-(6-methylnaphthalen-2-yl)hexa-2,4-dienoic acid
CID 116822604
acetic acid;3-(3,4-dihydroxyphenyl)prop-2-enoic acid
CID 159549195
(E)-3-[4-(2-chloro-5-methylphenoxy)phenyl]prop-2-enoic acid
CID 43364461
3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]prop-2-enoic acid
CID 123339824

Frequently Asked Questions

What is the IUPAC name of (E)-3-(6-methylnaphthalen-2-yl)prop-2-enoic acid?
The IUPAC name of (E)-3-(6-methylnaphthalen-2-yl)prop-2-enoic acid (CID 116866093) is (E)-3-(6-methylnaphthalen-2-yl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(6-methylnaphthalen-2-yl)prop-2-enoic acid?
The canonical SMILES for (E)-3-(6-methylnaphthalen-2-yl)prop-2-enoic acid is Cc1ccc2cc(/C=C/C(=O)O)ccc2c1.
What is the InChIKey of (E)-3-(6-methylnaphthalen-2-yl)prop-2-enoic acid?
The InChIKey is OQJVLQUSKQWGOW-QPJJXVBHSA-N. The full InChI is InChI=1S/C14H12O2/c1-10-2-5-13-9-11(4-7-14(15)16)3-6-12(13)8-10/h2-9H,1H3,(H,15,16)/b7-4+.
What are the key properties of (E)-3-(6-methylnaphthalen-2-yl)prop-2-enoic acid?
(E)-3-(6-methylnaphthalen-2-yl)prop-2-enoic acid has a molecular weight of 212.25 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(6-methylnaphthalen-2-yl)prop-2-enoic acid is sourced from PubChem (CID 116866093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).