anisole;1-chloropentane

C12H19ClO — CID 174500344

IUPACanisole;1-chloropentane
SMILESCCCCCCl.COc1ccccc1
InChIInChI=1S/C7H8O.C5H11Cl/c1-8-7-5-3-2-4-6-7;1-2-3-4-5-6/h2-6H,1H3;2-5H2,1H3
InChIKeyUTFSKRCBGJTCEU-UHFFFAOYSA-N
MW214.74 g/mol
LogP4.11
Rot. Bonds4

About anisole;1-chloropentane

anisole;1-chloropentane (PubChem CID 174500344) has the molecular formula C12H19ClO and a molecular weight of 214.74 g/mol. Its IUPAC name is anisole;1-chloropentane.

Molecular Properties

Compound Nameanisole;1-chloropentane
PubChem CID174500344
Molecular FormulaC12H19ClO
Molecular Weight214.74 g/mol
Exact Mass214.11
IUPAC Nameanisole;1-chloropentane
SMILESCCCCCCl.COc1ccccc1
InChIInChI=1S/C7H8O.C5H11Cl/c1-8-7-5-3-2-4-6-7;1-2-3-4-5-6/h2-6H,1H3;2-5H2,1H3
InChIKeyUTFSKRCBGJTCEU-UHFFFAOYSA-N
XLogP4.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.74
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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N-(4-butoxyphenyl)-4-methoxy-N-phenylaniline
CID 18996772
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CID 167511071
4-methoxy-N-pentyl-N-phenylaniline
CID 174868120
pentoxybenzene;undecane
CID 174778179
CID 172685187
CID 172685187
anisole;hydrochloride
CID 158800007
anisole;trihydrofluoride
CID 174796385
1-methoxy-4-tetradecoxybenzene
CID 91712423
acetylene;anisole
CID 86033716

Frequently Asked Questions

What is the IUPAC name of anisole;1-chloropentane?
The IUPAC name of anisole;1-chloropentane (CID 174500344) is anisole;1-chloropentane.
What is the SMILES notation for anisole;1-chloropentane?
The canonical SMILES for anisole;1-chloropentane is CCCCCCl.COc1ccccc1.
What is the InChIKey of anisole;1-chloropentane?
The InChIKey is UTFSKRCBGJTCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.C5H11Cl/c1-8-7-5-3-2-4-6-7;1-2-3-4-5-6/h2-6H,1H3;2-5H2,1H3.
What are the key properties of anisole;1-chloropentane?
anisole;1-chloropentane has a molecular weight of 214.74 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;1-chloropentane is sourced from PubChem (CID 174500344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).