2-[5-chloro-2-(cyclopropylmethoxy)phenyl]propan-2-ol

C13H17ClO2 — CID 84702232

IUPAC2-[5-chloro-2-(cyclopropylmethoxy)phenyl]propan-2-ol
SMILESCC(C)(O)c1cc(Cl)ccc1OCC1CC1
InChIInChI=1S/C13H17ClO2/c1-13(2,15)11-7-10(14)5-6-12(11)16-8-9-3-4-9/h5-7,9,15H,3-4,8H2,1-2H3
InChIKeyKFHRKCWJOOFYJL-UHFFFAOYSA-N
MW240.73 g/mol
LogP3.36
Rot. Bonds4

About 2-[5-chloro-2-(cyclopropylmethoxy)phenyl]propan-2-ol

2-[5-chloro-2-(cyclopropylmethoxy)phenyl]propan-2-ol (PubChem CID 84702232) has the molecular formula C13H17ClO2 and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-[5-chloro-2-(cyclopropylmethoxy)phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-chloro-2-(cyclopropylmethoxy)phenyl]propan-2-ol
PubChem CID84702232
Molecular FormulaC13H17ClO2
Molecular Weight240.73 g/mol
Exact Mass240.09
IUPAC Name2-[5-chloro-2-(cyclopropylmethoxy)phenyl]propan-2-ol
SMILESCC(C)(O)c1cc(Cl)ccc1OCC1CC1
InChIInChI=1S/C13H17ClO2/c1-13(2,15)11-7-10(14)5-6-12(11)16-8-9-3-4-9/h5-7,9,15H,3-4,8H2,1-2H3
InChIKeyKFHRKCWJOOFYJL-UHFFFAOYSA-N
XLogP3.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(cyclopropylmethoxy)phenyl]propan-2-ol?
The IUPAC name of 2-[5-chloro-2-(cyclopropylmethoxy)phenyl]propan-2-ol (CID 84702232) is 2-[5-chloro-2-(cyclopropylmethoxy)phenyl]propan-2-ol.
What is the SMILES notation for 2-[5-chloro-2-(cyclopropylmethoxy)phenyl]propan-2-ol?
The canonical SMILES for 2-[5-chloro-2-(cyclopropylmethoxy)phenyl]propan-2-ol is CC(C)(O)c1cc(Cl)ccc1OCC1CC1.
What is the InChIKey of 2-[5-chloro-2-(cyclopropylmethoxy)phenyl]propan-2-ol?
The InChIKey is KFHRKCWJOOFYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO2/c1-13(2,15)11-7-10(14)5-6-12(11)16-8-9-3-4-9/h5-7,9,15H,3-4,8H2,1-2H3.
What are the key properties of 2-[5-chloro-2-(cyclopropylmethoxy)phenyl]propan-2-ol?
2-[5-chloro-2-(cyclopropylmethoxy)phenyl]propan-2-ol has a molecular weight of 240.73 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(cyclopropylmethoxy)phenyl]propan-2-ol is sourced from PubChem (CID 84702232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).