1-[1-(3-chloro-2-methylprop-2-enyl)cyclopropyl]ethanol

C9H15ClO — CID 106439789

IUPAC1-[1-(3-chloro-2-methylprop-2-enyl)cyclopropyl]ethanol
SMILESCC(=CCl)CC1(C(C)O)CC1
InChIInChI=1S/C9H15ClO/c1-7(6-10)5-9(3-4-9)8(2)11/h6,8,11H,3-5H2,1-2H3
InChIKeyBKCHZIZBNRXXBC-UHFFFAOYSA-N
MW174.67 g/mol
LogP2.68
Rot. Bonds3

About 1-[1-(3-chloro-2-methylprop-2-enyl)cyclopropyl]ethanol

1-[1-(3-chloro-2-methylprop-2-enyl)cyclopropyl]ethanol (PubChem CID 106439789) has the molecular formula C9H15ClO and a molecular weight of 174.67 g/mol. Its IUPAC name is 1-[1-(3-chloro-2-methylprop-2-enyl)cyclopropyl]ethanol.

Molecular Properties

Compound Name1-[1-(3-chloro-2-methylprop-2-enyl)cyclopropyl]ethanol
PubChem CID106439789
Molecular FormulaC9H15ClO
Molecular Weight174.67 g/mol
Exact Mass174.08
IUPAC Name1-[1-(3-chloro-2-methylprop-2-enyl)cyclopropyl]ethanol
SMILESCC(=CCl)CC1(C(C)O)CC1
InChIInChI=1S/C9H15ClO/c1-7(6-10)5-9(3-4-9)8(2)11/h6,8,11H,3-5H2,1-2H3
InChIKeyBKCHZIZBNRXXBC-UHFFFAOYSA-N
XLogP2.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.67
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-2-methylprop-2-enyl)cyclopentane-1-carboxylic acid
CID 106439373
4-[1-(1-hydroxyethyl)cyclopropyl]butan-2-ol
CID 106798109
1-[1-(3-methylbutyl)cyclopropyl]ethanol
CID 106798094
4-chloro-3-methyl-N-propan-2-ylbut-3-en-1-amine
CID 106439917
1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]ethanol
CID 79138945
1-(1-hexylcyclopropyl)ethanol
CID 106798180
(E)-1-chloro-3-methoxy-2-methylprop-1-ene
CID 6382159
1-[(3-chloro-2-methylprop-2-enoxy)methyl]cyclopentan-1-amine
CID 106439119
6-chloro-3,5-dimethylhex-5-en-2-one
CID 106439161
2-(3-chloro-2-methylprop-2-enoxy)-N-methylpropan-1-amine
CID 106439107
(E)-1-chloro-3-iodo-2-methylprop-1-ene
CID 122235667
2-[(3-chloro-2-methylprop-2-enyl)amino]propan-1-ol
CID 106437749

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chloro-2-methylprop-2-enyl)cyclopropyl]ethanol?
The IUPAC name of 1-[1-(3-chloro-2-methylprop-2-enyl)cyclopropyl]ethanol (CID 106439789) is 1-[1-(3-chloro-2-methylprop-2-enyl)cyclopropyl]ethanol.
What is the SMILES notation for 1-[1-(3-chloro-2-methylprop-2-enyl)cyclopropyl]ethanol?
The canonical SMILES for 1-[1-(3-chloro-2-methylprop-2-enyl)cyclopropyl]ethanol is CC(=CCl)CC1(C(C)O)CC1.
What is the InChIKey of 1-[1-(3-chloro-2-methylprop-2-enyl)cyclopropyl]ethanol?
The InChIKey is BKCHZIZBNRXXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClO/c1-7(6-10)5-9(3-4-9)8(2)11/h6,8,11H,3-5H2,1-2H3.
What are the key properties of 1-[1-(3-chloro-2-methylprop-2-enyl)cyclopropyl]ethanol?
1-[1-(3-chloro-2-methylprop-2-enyl)cyclopropyl]ethanol has a molecular weight of 174.67 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chloro-2-methylprop-2-enyl)cyclopropyl]ethanol is sourced from PubChem (CID 106439789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).