1-chloro-3-methyl-2-(4-propylhept-3-en-3-yl)benzene

C17H25Cl — CID 155108241

IUPAC1-chloro-3-methyl-2-(4-propylhept-3-en-3-yl)benzene
SMILESCCCC(CCC)=C(CC)c1c(C)cccc1Cl
InChIInChI=1S/C17H25Cl/c1-5-9-14(10-6-2)15(7-3)17-13(4)11-8-12-16(17)18/h8,11-12H,5-7,9-10H2,1-4H3
InChIKeyVAUFVMMHVWVVFO-UHFFFAOYSA-N
MW264.84 g/mol
LogP6.41
Rot. Bonds6

About 1-chloro-3-methyl-2-(4-propylhept-3-en-3-yl)benzene

1-chloro-3-methyl-2-(4-propylhept-3-en-3-yl)benzene (PubChem CID 155108241) has the molecular formula C17H25Cl and a molecular weight of 264.84 g/mol. Its IUPAC name is 1-chloro-3-methyl-2-(4-propylhept-3-en-3-yl)benzene.

Molecular Properties

Compound Name1-chloro-3-methyl-2-(4-propylhept-3-en-3-yl)benzene
PubChem CID155108241
Molecular FormulaC17H25Cl
Molecular Weight264.84 g/mol
Exact Mass264.16
IUPAC Name1-chloro-3-methyl-2-(4-propylhept-3-en-3-yl)benzene
SMILESCCCC(CCC)=C(CC)c1c(C)cccc1Cl
InChIInChI=1S/C17H25Cl/c1-5-9-14(10-6-2)15(7-3)17-13(4)11-8-12-16(17)18/h8,11-12H,5-7,9-10H2,1-4H3
InChIKeyVAUFVMMHVWVVFO-UHFFFAOYSA-N
XLogP6.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.84
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2-chloro-6-hydroxyphenyl)butan-1-one
CID 130034391
1-chloro-3-methyl-2-prop-1-en-2-ylbenzene;propane
CID 163302600
(2-chloro-6-methylphenyl)-phosphanylmethanone
CID 159149491
lithium;(2-chloro-6-methylphenyl)-ethylphosphanylmethanone;hydride
CID 174400898
2-chloro-6-methylphenol;yttrium
CID 178141464
1-(2,6-dichlorophenyl)pentan-1-one
CID 83950203
1-(2,3-dichlorophenyl)butan-1-one
CID 54508940
2-bromo-1-(2-chloro-6-methylphenyl)hexan-3-one
CID 66248813
1-[3-(2-chloro-6-methylphenyl)-5-methyl-1,2-oxazol-4-yl]butan-1-one
CID 173416899
(Z)-1-(2-chloro-6-methylphenyl)-N-methylbut-2-en-1-imine;ethane
CID 143567465
methyl 2-(2-chloro-6-methylphenyl)-2-oxoacetate
CID 130137004
1-(2,6-dichlorophenyl)heptan-1-one
CID 114966663

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-methyl-2-(4-propylhept-3-en-3-yl)benzene?
The IUPAC name of 1-chloro-3-methyl-2-(4-propylhept-3-en-3-yl)benzene (CID 155108241) is 1-chloro-3-methyl-2-(4-propylhept-3-en-3-yl)benzene.
What is the SMILES notation for 1-chloro-3-methyl-2-(4-propylhept-3-en-3-yl)benzene?
The canonical SMILES for 1-chloro-3-methyl-2-(4-propylhept-3-en-3-yl)benzene is CCCC(CCC)=C(CC)c1c(C)cccc1Cl.
What is the InChIKey of 1-chloro-3-methyl-2-(4-propylhept-3-en-3-yl)benzene?
The InChIKey is VAUFVMMHVWVVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl/c1-5-9-14(10-6-2)15(7-3)17-13(4)11-8-12-16(17)18/h8,11-12H,5-7,9-10H2,1-4H3.
What are the key properties of 1-chloro-3-methyl-2-(4-propylhept-3-en-3-yl)benzene?
1-chloro-3-methyl-2-(4-propylhept-3-en-3-yl)benzene has a molecular weight of 264.84 g/mol, XLogP of 6.41, 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-2-(4-propylhept-3-en-3-yl)benzene is sourced from PubChem (CID 155108241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).