1-chloro-3-(3-methylpentyl)benzene

C12H17Cl — CID 57308391

IUPAC1-chloro-3-(3-methylpentyl)benzene
SMILESCCC(C)CCc1cccc(Cl)c1
InChIInChI=1S/C12H17Cl/c1-3-10(2)7-8-11-5-4-6-12(13)9-11/h4-6,9-10H,3,7-8H2,1-2H3
InChIKeyYTNWVDJYFZOVDX-UHFFFAOYSA-N
MW196.72 g/mol
LogP4.32
Rot. Bonds4

About 1-chloro-3-(3-methylpentyl)benzene

1-chloro-3-(3-methylpentyl)benzene (PubChem CID 57308391) has the molecular formula C12H17Cl and a molecular weight of 196.72 g/mol. Its IUPAC name is 1-chloro-3-(3-methylpentyl)benzene.

Molecular Properties

Compound Name1-chloro-3-(3-methylpentyl)benzene
PubChem CID57308391
Molecular FormulaC12H17Cl
Molecular Weight196.72 g/mol
Exact Mass196.10
IUPAC Name1-chloro-3-(3-methylpentyl)benzene
SMILESCCC(C)CCc1cccc(Cl)c1
InChIInChI=1S/C12H17Cl/c1-3-10(2)7-8-11-5-4-6-12(13)9-11/h4-6,9-10H,3,7-8H2,1-2H3
InChIKeyYTNWVDJYFZOVDX-UHFFFAOYSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.72
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(3-chlorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 64665001
1-(3-methylpentyl)-3-propan-2-ylbenzene
CID 168942891
1-chloro-3-(7-methyloctyl)benzene
CID 168947295
1-chloro-3-(3-phenylbutyl)benzene
CID 173298175
4-(3-chlorophenyl)-2-ethylbutanoic acid
CID 158851266
1-chloro-3-methyl-5-(3-methylpentyl)benzene
CID 170769556
3-(3-methylpentyl)benzonitrile
CID 57198276
1-chloro-3-octylbenzene
CID 11458768
1-chloro-2-methyl-4-(3-methylpentyl)benzene
CID 91237561
4-(3-chlorophenyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 64666080
1-(3-chlorophenyl)-4-methylhexan-2-one
CID 62621128
1-chloro-3-[2-(chloromethyl)-4-methylhexyl]benzene
CID 66048800

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(3-methylpentyl)benzene?
The IUPAC name of 1-chloro-3-(3-methylpentyl)benzene (CID 57308391) is 1-chloro-3-(3-methylpentyl)benzene.
What is the SMILES notation for 1-chloro-3-(3-methylpentyl)benzene?
The canonical SMILES for 1-chloro-3-(3-methylpentyl)benzene is CCC(C)CCc1cccc(Cl)c1.
What is the InChIKey of 1-chloro-3-(3-methylpentyl)benzene?
The InChIKey is YTNWVDJYFZOVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl/c1-3-10(2)7-8-11-5-4-6-12(13)9-11/h4-6,9-10H,3,7-8H2,1-2H3.
What are the key properties of 1-chloro-3-(3-methylpentyl)benzene?
1-chloro-3-(3-methylpentyl)benzene has a molecular weight of 196.72 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(3-methylpentyl)benzene is sourced from PubChem (CID 57308391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).