1-chloropentane;naphthalene-1,2-dione

C15H17ClO2 — CID 174978866

IUPAC1-chloropentane;naphthalene-1,2-dione
SMILESCCCCCCl.O=C1C=Cc2ccccc2C1=O
InChIInChI=1S/C10H6O2.C5H11Cl/c11-9-6-5-7-3-1-2-4-8(7)10(9)12;1-2-3-4-5-6/h1-6H;2-5H2,1H3
InChIKeyKLLKRPRFVPQDEL-UHFFFAOYSA-N
MW264.75 g/mol
LogP3.88
Rot. Bonds3

About 1-chloropentane;naphthalene-1,2-dione

1-chloropentane;naphthalene-1,2-dione (PubChem CID 174978866) has the molecular formula C15H17ClO2 and a molecular weight of 264.75 g/mol. Its IUPAC name is 1-chloropentane;naphthalene-1,2-dione.

Molecular Properties

Compound Name1-chloropentane;naphthalene-1,2-dione
PubChem CID174978866
Molecular FormulaC15H17ClO2
Molecular Weight264.75 g/mol
Exact Mass264.09
IUPAC Name1-chloropentane;naphthalene-1,2-dione
SMILESCCCCCCl.O=C1C=Cc2ccccc2C1=O
InChIInChI=1S/C10H6O2.C5H11Cl/c11-9-6-5-7-3-1-2-4-8(7)10(9)12;1-2-3-4-5-6/h1-6H;2-5H2,1H3
InChIKeyKLLKRPRFVPQDEL-UHFFFAOYSA-N
XLogP3.88
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.75
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

naphthalene-1,2-dione diazide
CID 18668389
(2E)-2-pentylidenenaphthalen-1-one
CID 69085981
furan;naphthalene-1,2-dione
CID 157089682
7-(1-hydroxyhexyl)naphthalene-1,2-dione
CID 174649774
4-[(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;naphthalene-1,2-dione
CID 161325544
bromobenzene;1-chloropentane
CID 174314793
(1E)-1-hexylideneindene
CID 173434056
2-chloro-3-pentoxynaphthalene-1,4-dione
CID 10945787
1-chloropentane;2-methylbenzenesulfonic acid
CID 174931288
anisole;1-chloropentane
CID 174500344
1-chloropentane;1H-quinolin-2-one
CID 174326674
4-nonyliminonaphthalen-1-one
CID 18647868

Frequently Asked Questions

What is the IUPAC name of 1-chloropentane;naphthalene-1,2-dione?
The IUPAC name of 1-chloropentane;naphthalene-1,2-dione (CID 174978866) is 1-chloropentane;naphthalene-1,2-dione.
What is the SMILES notation for 1-chloropentane;naphthalene-1,2-dione?
The canonical SMILES for 1-chloropentane;naphthalene-1,2-dione is CCCCCCl.O=C1C=Cc2ccccc2C1=O.
What is the InChIKey of 1-chloropentane;naphthalene-1,2-dione?
The InChIKey is KLLKRPRFVPQDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O2.C5H11Cl/c11-9-6-5-7-3-1-2-4-8(7)10(9)12;1-2-3-4-5-6/h1-6H;2-5H2,1H3.
What are the key properties of 1-chloropentane;naphthalene-1,2-dione?
1-chloropentane;naphthalene-1,2-dione has a molecular weight of 264.75 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropentane;naphthalene-1,2-dione is sourced from PubChem (CID 174978866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).