4-chloro-5-cyclopropyl-2-methylphenol

C10H11ClO — CID 118091954

IUPAC4-chloro-5-cyclopropyl-2-methylphenol
SMILESCc1cc(Cl)c(C2CC2)cc1O
InChIInChI=1S/C10H11ClO/c1-6-4-9(11)8(5-10(6)12)7-2-3-7/h4-5,7,12H,2-3H2,1H3
InChIKeyVLOBKPNPGPZHHP-UHFFFAOYSA-N
MW182.65 g/mol
LogP3.23
Rot. Bonds1

About 4-chloro-5-cyclopropyl-2-methylphenol

4-chloro-5-cyclopropyl-2-methylphenol (PubChem CID 118091954) has the molecular formula C10H11ClO and a molecular weight of 182.65 g/mol. Its IUPAC name is 4-chloro-5-cyclopropyl-2-methylphenol.

Molecular Properties

Compound Name4-chloro-5-cyclopropyl-2-methylphenol
PubChem CID118091954
Molecular FormulaC10H11ClO
Molecular Weight182.65 g/mol
Exact Mass182.05
IUPAC Name4-chloro-5-cyclopropyl-2-methylphenol
SMILESCc1cc(Cl)c(C2CC2)cc1O
InChIInChI=1S/C10H11ClO/c1-6-4-9(11)8(5-10(6)12)7-2-3-7/h4-5,7,12H,2-3H2,1H3
InChIKeyVLOBKPNPGPZHHP-UHFFFAOYSA-N
XLogP3.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-cyclopropyl-2-methylphenol?
The IUPAC name of 4-chloro-5-cyclopropyl-2-methylphenol (CID 118091954) is 4-chloro-5-cyclopropyl-2-methylphenol.
What is the SMILES notation for 4-chloro-5-cyclopropyl-2-methylphenol?
The canonical SMILES for 4-chloro-5-cyclopropyl-2-methylphenol is Cc1cc(Cl)c(C2CC2)cc1O.
What is the InChIKey of 4-chloro-5-cyclopropyl-2-methylphenol?
The InChIKey is VLOBKPNPGPZHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO/c1-6-4-9(11)8(5-10(6)12)7-2-3-7/h4-5,7,12H,2-3H2,1H3.
What are the key properties of 4-chloro-5-cyclopropyl-2-methylphenol?
4-chloro-5-cyclopropyl-2-methylphenol has a molecular weight of 182.65 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-cyclopropyl-2-methylphenol is sourced from PubChem (CID 118091954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).