2-[(1E)-1-chloro-1-ethoxypenta-1,4-dien-2-yl]naphthalene

C17H17ClO — CID 135004931

IUPAC2-[(1E)-1-chloro-1-ethoxypenta-1,4-dien-2-yl]naphthalene
SMILESC=CC/C(=C(\Cl)OCC)c1ccc2ccccc2c1
InChIInChI=1S/C17H17ClO/c1-3-7-16(17(18)19-4-2)15-11-10-13-8-5-6-9-14(13)12-15/h3,5-6,8-12H,1,4,7H2,2H3/b17-16-
InChIKeyWEYQNAVBRRDLQY-MSUUIHNZSA-N
MW272.78 g/mol
LogP5.36
Rot. Bonds5

About 2-[(1E)-1-chloro-1-ethoxypenta-1,4-dien-2-yl]naphthalene

2-[(1E)-1-chloro-1-ethoxypenta-1,4-dien-2-yl]naphthalene (PubChem CID 135004931) has the molecular formula C17H17ClO and a molecular weight of 272.78 g/mol. Its IUPAC name is 2-[(1E)-1-chloro-1-ethoxypenta-1,4-dien-2-yl]naphthalene.

Molecular Properties

Compound Name2-[(1E)-1-chloro-1-ethoxypenta-1,4-dien-2-yl]naphthalene
PubChem CID135004931
Molecular FormulaC17H17ClO
Molecular Weight272.78 g/mol
Exact Mass272.10
IUPAC Name2-[(1E)-1-chloro-1-ethoxypenta-1,4-dien-2-yl]naphthalene
SMILESC=CC/C(=C(\Cl)OCC)c1ccc2ccccc2c1
InChIInChI=1S/C17H17ClO/c1-3-7-16(17(18)19-4-2)15-11-10-13-8-5-6-9-14(13)12-15/h3,5-6,8-12H,1,4,7H2,2H3/b17-16-
InChIKeyWEYQNAVBRRDLQY-MSUUIHNZSA-N
XLogP5.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.78
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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ethyl 2-(naphthalene-2-carbonylamino)prop-2-enoate
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ethyl 2-(naphthalene-2-carbonylamino)acetate
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ethyl 2-formyl-2-naphthalen-2-ylpent-4-enoate
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CID 175020259
CID 175020259
[(3R)-3-ethenoxy-2,2-dimethylhex-5-enyl] naphthalene-2-carboxylate
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ethane;N-ethylnaphthalene-2-carboxamide;ethyl naphthalene-2-carboxylate
CID 144557460
dinaphthalen-2-ylmethanone
CID 10945915
ethyl (2E,4E,6Z)-3-methyl-7-naphthalen-2-ylocta-2,4,6-trienoate
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CID 154708842

Frequently Asked Questions

What is the IUPAC name of 2-[(1E)-1-chloro-1-ethoxypenta-1,4-dien-2-yl]naphthalene?
The IUPAC name of 2-[(1E)-1-chloro-1-ethoxypenta-1,4-dien-2-yl]naphthalene (CID 135004931) is 2-[(1E)-1-chloro-1-ethoxypenta-1,4-dien-2-yl]naphthalene.
What is the SMILES notation for 2-[(1E)-1-chloro-1-ethoxypenta-1,4-dien-2-yl]naphthalene?
The canonical SMILES for 2-[(1E)-1-chloro-1-ethoxypenta-1,4-dien-2-yl]naphthalene is C=CC/C(=C(\Cl)OCC)c1ccc2ccccc2c1.
What is the InChIKey of 2-[(1E)-1-chloro-1-ethoxypenta-1,4-dien-2-yl]naphthalene?
The InChIKey is WEYQNAVBRRDLQY-MSUUIHNZSA-N. The full InChI is InChI=1S/C17H17ClO/c1-3-7-16(17(18)19-4-2)15-11-10-13-8-5-6-9-14(13)12-15/h3,5-6,8-12H,1,4,7H2,2H3/b17-16-.
What are the key properties of 2-[(1E)-1-chloro-1-ethoxypenta-1,4-dien-2-yl]naphthalene?
2-[(1E)-1-chloro-1-ethoxypenta-1,4-dien-2-yl]naphthalene has a molecular weight of 272.78 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E)-1-chloro-1-ethoxypenta-1,4-dien-2-yl]naphthalene is sourced from PubChem (CID 135004931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).