1-chloro-3-(7-methyloctyl)benzene

C15H23Cl — CID 168947295

IUPAC1-chloro-3-(7-methyloctyl)benzene
SMILESCC(C)CCCCCCc1cccc(Cl)c1
InChIInChI=1S/C15H23Cl/c1-13(2)8-5-3-4-6-9-14-10-7-11-15(16)12-14/h7,10-13H,3-6,8-9H2,1-2H3
InChIKeyWGGPTGHWBQKJNV-UHFFFAOYSA-N
MW238.80 g/mol
LogP5.49
Rot. Bonds7

About 1-chloro-3-(7-methyloctyl)benzene

1-chloro-3-(7-methyloctyl)benzene (PubChem CID 168947295) has the molecular formula C15H23Cl and a molecular weight of 238.80 g/mol. Its IUPAC name is 1-chloro-3-(7-methyloctyl)benzene.

Molecular Properties

Compound Name1-chloro-3-(7-methyloctyl)benzene
PubChem CID168947295
Molecular FormulaC15H23Cl
Molecular Weight238.80 g/mol
Exact Mass238.15
IUPAC Name1-chloro-3-(7-methyloctyl)benzene
SMILESCC(C)CCCCCCc1cccc(Cl)c1
InChIInChI=1S/C15H23Cl/c1-13(2)8-5-3-4-6-9-14-10-7-11-15(16)12-14/h7,10-13H,3-6,8-9H2,1-2H3
InChIKeyWGGPTGHWBQKJNV-UHFFFAOYSA-N
XLogP5.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.80
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-3-octylbenzene
CID 11458768
1-(3-chlorophenyl)-6-methylheptan-4-ol
CID 141283278
1-chloro-3-(3-methylpentyl)benzene
CID 57308391
N-[3-(3-chlorophenyl)propoxy]methanamine
CID 117126890
1,3-dichloro-5-(4-methylpentyl)benzene
CID 20672445
1-(9-methyldecyl)-3-(5-pentoxypentyl)benzene
CID 145255748
N-[2-(3-chlorophenyl)ethyl]-N-ethyl-3-methylbutan-1-amine
CID 156848929
1-chloro-3-(3-fluoropropyl)benzene
CID 54201496
1-chloro-3-(3-phenylbutyl)benzene
CID 173298175
1-chloro-3-[4-(4-methoxyphenyl)butyl]benzene
CID 131860651
(1S)-1-(5-chloro-1-methylindol-2-yl)-6-(3-chlorophenyl)hexan-1-ol
CID 122600353
1-(4-methylpentyl)-3-phenylbenzene
CID 19790542

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(7-methyloctyl)benzene?
The IUPAC name of 1-chloro-3-(7-methyloctyl)benzene (CID 168947295) is 1-chloro-3-(7-methyloctyl)benzene.
What is the SMILES notation for 1-chloro-3-(7-methyloctyl)benzene?
The canonical SMILES for 1-chloro-3-(7-methyloctyl)benzene is CC(C)CCCCCCc1cccc(Cl)c1.
What is the InChIKey of 1-chloro-3-(7-methyloctyl)benzene?
The InChIKey is WGGPTGHWBQKJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl/c1-13(2)8-5-3-4-6-9-14-10-7-11-15(16)12-14/h7,10-13H,3-6,8-9H2,1-2H3.
What are the key properties of 1-chloro-3-(7-methyloctyl)benzene?
1-chloro-3-(7-methyloctyl)benzene has a molecular weight of 238.80 g/mol, XLogP of 5.49, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(7-methyloctyl)benzene is sourced from PubChem (CID 168947295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).