(2E)-2-(7-ethyl-3-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid

C15H18O2 — CID 84626078

IUPAC(2E)-2-(7-ethyl-3-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid
SMILESCCc1ccc2c(c1)/C(=C/C(=O)O)CC(C)C2
InChIInChI=1S/C15H18O2/c1-3-11-4-5-12-6-10(2)7-13(9-15(16)17)14(12)8-11/h4-5,8-10H,3,6-7H2,1-2H3,(H,16,17)/b13-9+
InChIKeyOULFJQVDMBIUSG-UKTHLTGXSA-N
MW230.31 g/mol
LogP3.30
Rot. Bonds2

About (2E)-2-(7-ethyl-3-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid

(2E)-2-(7-ethyl-3-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid (PubChem CID 84626078) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is (2E)-2-(7-ethyl-3-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid.

Molecular Properties

Compound Name(2E)-2-(7-ethyl-3-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid
PubChem CID84626078
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name(2E)-2-(7-ethyl-3-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid
SMILESCCc1ccc2c(c1)/C(=C/C(=O)O)CC(C)C2
InChIInChI=1S/C15H18O2/c1-3-11-4-5-12-6-10(2)7-13(9-15(16)17)14(12)8-11/h4-5,8-10H,3,6-7H2,1-2H3,(H,16,17)/b13-9+
InChIKeyOULFJQVDMBIUSG-UKTHLTGXSA-N
XLogP3.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.30
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

(2E)-2-(3,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid
CID 84622246
7-ethyl-3-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 84618710
ethane;6-ethyl-2-methyl-2,3-dihydroinden-1-one
CID 143747856
(2E)-2-(6-ethyl-2,2-dimethyl-3H-chromen-4-ylidene)acetic acid
CID 82086114
N-[(2S)-5-ethyl-3-oxo-1,2-dihydroinden-2-yl]acetamide
CID 134953463
2-(5-ethyl-2,3-dihydro-1H-inden-2-yl)acetic acid
CID 71174187
1-(7-ethyl-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 138536083
7-ethyl-3,4-dihydronaphthalene-1-carboxylic acid
CID 82076590
(2E)-2-(2-ethyl-5-methoxyfluoren-9-ylidene)acetic acid
CID 82578804
2-(7-ethyl-1-oxo-3,4-dihydroisoquinolin-2-yl)acetic acid
CID 82055331
(1Z)-1-(5-ethyl-1-benzofuran-3-ylidene)propan-2-one
CID 143395834
7-bromo-3-methyl-3,4-dihydro-2H-naphthalen-1-one;2-methylbutanoic acid
CID 161093393

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(7-ethyl-3-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid?
The IUPAC name of (2E)-2-(7-ethyl-3-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid (CID 84626078) is (2E)-2-(7-ethyl-3-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid.
What is the SMILES notation for (2E)-2-(7-ethyl-3-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid?
The canonical SMILES for (2E)-2-(7-ethyl-3-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid is CCc1ccc2c(c1)/C(=C/C(=O)O)CC(C)C2.
What is the InChIKey of (2E)-2-(7-ethyl-3-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid?
The InChIKey is OULFJQVDMBIUSG-UKTHLTGXSA-N. The full InChI is InChI=1S/C15H18O2/c1-3-11-4-5-12-6-10(2)7-13(9-15(16)17)14(12)8-11/h4-5,8-10H,3,6-7H2,1-2H3,(H,16,17)/b13-9+.
What are the key properties of (2E)-2-(7-ethyl-3-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid?
(2E)-2-(7-ethyl-3-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid has a molecular weight of 230.31 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(7-ethyl-3-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid is sourced from PubChem (CID 84626078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).