1-(2-chlorotridecyl)-2-methylbenzene

C20H33Cl — CID 65426616

IUPAC1-(2-chlorotridecyl)-2-methylbenzene
SMILESCCCCCCCCCCCC(Cl)Cc1ccccc1C
InChIInChI=1S/C20H33Cl/c1-3-4-5-6-7-8-9-10-11-16-20(21)17-19-15-13-12-14-18(19)2/h12-15,20H,3-11,16-17H2,1-2H3
InChIKeyYHDBZVLEHNPNQB-UHFFFAOYSA-N
MW308.94 g/mol
LogP7.07
Rot. Bonds12

About 1-(2-chlorotridecyl)-2-methylbenzene

1-(2-chlorotridecyl)-2-methylbenzene (PubChem CID 65426616) has the molecular formula C20H33Cl and a molecular weight of 308.94 g/mol. Its IUPAC name is 1-(2-chlorotridecyl)-2-methylbenzene.

Molecular Properties

Compound Name1-(2-chlorotridecyl)-2-methylbenzene
PubChem CID65426616
Molecular FormulaC20H33Cl
Molecular Weight308.94 g/mol
Exact Mass308.23
IUPAC Name1-(2-chlorotridecyl)-2-methylbenzene
SMILESCCCCCCCCCCCC(Cl)Cc1ccccc1C
InChIInChI=1S/C20H33Cl/c1-3-4-5-6-7-8-9-10-11-16-20(21)17-19-15-13-12-14-18(19)2/h12-15,20H,3-11,16-17H2,1-2H3
InChIKeyYHDBZVLEHNPNQB-UHFFFAOYSA-N
XLogP7.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.94
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

N-methyl-1-(2-methylphenyl)octan-2-amine
CID 62605223
N-ethyl-1-(2-methylphenyl)decan-2-amine
CID 63417244
1-chloro-2-(2-chlorohexyl)benzene
CID 63519497
1-(2-ethylhexyl)-2-methylbenzene
CID 54294773
1-(2-methylphenyl)decan-3-ol
CID 105085012
1-(2-chloro-4-methylpentyl)-2-methylbenzene
CID 63544752
1-(2-chlorodecyl)-4-fluorobenzene
CID 65428544
5-methyl-2-[(2-methylphenyl)methyl]heptadecanal
CID 142767703
2-(2-chlorononyl)pyridine
CID 66459167
1-methyl-2-pentylbenzene
CID 524553
sodium;1-heptadecyl-2-methylbenzene;hydride
CID 173344564
1-(2-chloro-4-cyclohexylbutyl)-2-methylbenzene
CID 55224451

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorotridecyl)-2-methylbenzene?
The IUPAC name of 1-(2-chlorotridecyl)-2-methylbenzene (CID 65426616) is 1-(2-chlorotridecyl)-2-methylbenzene.
What is the SMILES notation for 1-(2-chlorotridecyl)-2-methylbenzene?
The canonical SMILES for 1-(2-chlorotridecyl)-2-methylbenzene is CCCCCCCCCCCC(Cl)Cc1ccccc1C.
What is the InChIKey of 1-(2-chlorotridecyl)-2-methylbenzene?
The InChIKey is YHDBZVLEHNPNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33Cl/c1-3-4-5-6-7-8-9-10-11-16-20(21)17-19-15-13-12-14-18(19)2/h12-15,20H,3-11,16-17H2,1-2H3.
What are the key properties of 1-(2-chlorotridecyl)-2-methylbenzene?
1-(2-chlorotridecyl)-2-methylbenzene has a molecular weight of 308.94 g/mol, XLogP of 7.07, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorotridecyl)-2-methylbenzene is sourced from PubChem (CID 65426616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).