1-(2-chloroethoxy)-4-(2-methylprop-1-enyl)benzene

C12H15ClO — CID 151179000

IUPAC1-(2-chloroethoxy)-4-(2-methylprop-1-enyl)benzene
SMILESCC(C)=Cc1ccc(OCCCl)cc1
InChIInChI=1S/C12H15ClO/c1-10(2)9-11-3-5-12(6-4-11)14-8-7-13/h3-6,9H,7-8H2,1-2H3
InChIKeyNDWTXXMEBJXOCS-UHFFFAOYSA-N
MW210.70 g/mol
LogP3.73
Rot. Bonds4

About 1-(2-chloroethoxy)-4-(2-methylprop-1-enyl)benzene

1-(2-chloroethoxy)-4-(2-methylprop-1-enyl)benzene (PubChem CID 151179000) has the molecular formula C12H15ClO and a molecular weight of 210.70 g/mol. Its IUPAC name is 1-(2-chloroethoxy)-4-(2-methylprop-1-enyl)benzene.

Molecular Properties

Compound Name1-(2-chloroethoxy)-4-(2-methylprop-1-enyl)benzene
PubChem CID151179000
Molecular FormulaC12H15ClO
Molecular Weight210.70 g/mol
Exact Mass210.08
IUPAC Name1-(2-chloroethoxy)-4-(2-methylprop-1-enyl)benzene
SMILESCC(C)=Cc1ccc(OCCCl)cc1
InChIInChI=1S/C12H15ClO/c1-10(2)9-11-3-5-12(6-4-11)14-8-7-13/h3-6,9H,7-8H2,1-2H3
InChIKeyNDWTXXMEBJXOCS-UHFFFAOYSA-N
XLogP3.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.70
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylprop-1-enyl)-4-tetradecoxybenzene
CID 150699958
1-(2-methylprop-1-enyl)-4-(2-methylpropoxy)benzene
CID 20609364
1-(2-chloroethoxy)-4-methoxybenzene
CID 10081150
[4-(2-chloroethoxy)phenyl]methylidenehydrazine
CID 168529045
1,3-bis[4-(2-chloroethoxy)phenyl]prop-2-en-1-one
CID 2751350
(E)-1,3-bis[4-(2-chloroethoxy)phenyl]prop-2-en-1-one
CID 6053420
1,4-bis(3-chloropropoxy)benzene
CID 20523958
bis[4-(2-chloroethoxy)phenyl]iodanium
CID 20582192
1-[2-(chloromethyl)but-1-enyl]-4-pentoxybenzene
CID 79334916
1,4-bis[2,2-bis(4-butoxyphenyl)ethenyl]benzene
CID 102046823
2-methyl-3-(4-pentoxyphenyl)prop-2-en-1-amine
CID 79324202
4-(4-methylpent-3-enoxy)benzaldehyde
CID 139652723

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethoxy)-4-(2-methylprop-1-enyl)benzene?
The IUPAC name of 1-(2-chloroethoxy)-4-(2-methylprop-1-enyl)benzene (CID 151179000) is 1-(2-chloroethoxy)-4-(2-methylprop-1-enyl)benzene.
What is the SMILES notation for 1-(2-chloroethoxy)-4-(2-methylprop-1-enyl)benzene?
The canonical SMILES for 1-(2-chloroethoxy)-4-(2-methylprop-1-enyl)benzene is CC(C)=Cc1ccc(OCCCl)cc1.
What is the InChIKey of 1-(2-chloroethoxy)-4-(2-methylprop-1-enyl)benzene?
The InChIKey is NDWTXXMEBJXOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO/c1-10(2)9-11-3-5-12(6-4-11)14-8-7-13/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 1-(2-chloroethoxy)-4-(2-methylprop-1-enyl)benzene?
1-(2-chloroethoxy)-4-(2-methylprop-1-enyl)benzene has a molecular weight of 210.70 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethoxy)-4-(2-methylprop-1-enyl)benzene is sourced from PubChem (CID 151179000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).