(4-chlorocyclohex-3-en-1-yl)methanol

C7H11ClO — CID 118964478

IUPAC(4-chlorocyclohex-3-en-1-yl)methanol
SMILESOCC1CC=C(Cl)CC1
InChIInChI=1S/C7H11ClO/c8-7-3-1-6(5-9)2-4-7/h3,6,9H,1-2,4-5H2
InChIKeyGGLHRKPQRBEFOO-UHFFFAOYSA-N
MW146.62 g/mol
LogP1.90
Rot. Bonds1

About (4-chlorocyclohex-3-en-1-yl)methanol

(4-chlorocyclohex-3-en-1-yl)methanol (PubChem CID 118964478) has the molecular formula C7H11ClO and a molecular weight of 146.62 g/mol. Its IUPAC name is (4-chlorocyclohex-3-en-1-yl)methanol.

Molecular Properties

Compound Name(4-chlorocyclohex-3-en-1-yl)methanol
PubChem CID118964478
Molecular FormulaC7H11ClO
Molecular Weight146.62 g/mol
Exact Mass146.05
IUPAC Name(4-chlorocyclohex-3-en-1-yl)methanol
SMILESOCC1CC=C(Cl)CC1
InChIInChI=1S/C7H11ClO/c8-7-3-1-6(5-9)2-4-7/h3,6,9H,1-2,4-5H2
InChIKeyGGLHRKPQRBEFOO-UHFFFAOYSA-N
XLogP1.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.62
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-chlorocyclohex-3-en-1-yl)methanol?
The IUPAC name of (4-chlorocyclohex-3-en-1-yl)methanol (CID 118964478) is (4-chlorocyclohex-3-en-1-yl)methanol.
What is the SMILES notation for (4-chlorocyclohex-3-en-1-yl)methanol?
The canonical SMILES for (4-chlorocyclohex-3-en-1-yl)methanol is OCC1CC=C(Cl)CC1.
What is the InChIKey of (4-chlorocyclohex-3-en-1-yl)methanol?
The InChIKey is GGLHRKPQRBEFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClO/c8-7-3-1-6(5-9)2-4-7/h3,6,9H,1-2,4-5H2.
What are the key properties of (4-chlorocyclohex-3-en-1-yl)methanol?
(4-chlorocyclohex-3-en-1-yl)methanol has a molecular weight of 146.62 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorocyclohex-3-en-1-yl)methanol is sourced from PubChem (CID 118964478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).