1-chloro-3-methyl-5-(3-propylhex-1-en-2-yl)benzene

C16H23Cl — CID 142137761

IUPAC1-chloro-3-methyl-5-(3-propylhex-1-en-2-yl)benzene
SMILESC=C(c1cc(C)cc(Cl)c1)C(CCC)CCC
InChIInChI=1S/C16H23Cl/c1-5-7-14(8-6-2)13(4)15-9-12(3)10-16(17)11-15/h9-11,14H,4-8H2,1-3H3
InChIKeyYNWTYCQERUJFHH-UHFFFAOYSA-N
MW250.81 g/mol
LogP5.88
Rot. Bonds6

About 1-chloro-3-methyl-5-(3-propylhex-1-en-2-yl)benzene

1-chloro-3-methyl-5-(3-propylhex-1-en-2-yl)benzene (PubChem CID 142137761) has the molecular formula C16H23Cl and a molecular weight of 250.81 g/mol. Its IUPAC name is 1-chloro-3-methyl-5-(3-propylhex-1-en-2-yl)benzene.

Molecular Properties

Compound Name1-chloro-3-methyl-5-(3-propylhex-1-en-2-yl)benzene
PubChem CID142137761
Molecular FormulaC16H23Cl
Molecular Weight250.81 g/mol
Exact Mass250.15
IUPAC Name1-chloro-3-methyl-5-(3-propylhex-1-en-2-yl)benzene
SMILESC=C(c1cc(C)cc(Cl)c1)C(CCC)CCC
InChIInChI=1S/C16H23Cl/c1-5-7-14(8-6-2)13(4)15-9-12(3)10-16(17)11-15/h9-11,14H,4-8H2,1-3H3
InChIKeyYNWTYCQERUJFHH-UHFFFAOYSA-N
XLogP5.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.81
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 142934981
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1-(3-chloro-5-methylphenyl)decan-1-ol
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1-(3-chloro-5-methylphenyl)propan-1-ol
CID 115787792
3-chloro-N-(2-chloroethyl)-5-methyl-N-propylbenzamide
CID 81324581
3-chloro-N-(1-chlorobutan-2-yl)-5-methylbenzamide
CID 114294418
3-chloro-N-(3-hydroxybutyl)-5-methylbenzamide
CID 81002624
3-chloro-N-(2-chloropropyl)-5-methylbenzamide
CID 114296400
(3-chloro-5-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102762901
3-chloro-N-(2-chloroethyl)-5-methyl-N-pentan-3-ylbenzamide
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N-[1-(3-chloro-5-fluorophenyl)ethenyl]-2-propylpentan-1-amine
CID 134423179

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-methyl-5-(3-propylhex-1-en-2-yl)benzene?
The IUPAC name of 1-chloro-3-methyl-5-(3-propylhex-1-en-2-yl)benzene (CID 142137761) is 1-chloro-3-methyl-5-(3-propylhex-1-en-2-yl)benzene.
What is the SMILES notation for 1-chloro-3-methyl-5-(3-propylhex-1-en-2-yl)benzene?
The canonical SMILES for 1-chloro-3-methyl-5-(3-propylhex-1-en-2-yl)benzene is C=C(c1cc(C)cc(Cl)c1)C(CCC)CCC.
What is the InChIKey of 1-chloro-3-methyl-5-(3-propylhex-1-en-2-yl)benzene?
The InChIKey is YNWTYCQERUJFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl/c1-5-7-14(8-6-2)13(4)15-9-12(3)10-16(17)11-15/h9-11,14H,4-8H2,1-3H3.
What are the key properties of 1-chloro-3-methyl-5-(3-propylhex-1-en-2-yl)benzene?
1-chloro-3-methyl-5-(3-propylhex-1-en-2-yl)benzene has a molecular weight of 250.81 g/mol, XLogP of 5.88, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-methyl-5-(3-propylhex-1-en-2-yl)benzene is sourced from PubChem (CID 142137761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).