propyl 2-[4-(hydroxymethyl)-2-methylphenyl]cyclopropane-1-carboxylate

C15H20O3 — CID 167287480

IUPACpropyl 2-[4-(hydroxymethyl)-2-methylphenyl]cyclopropane-1-carboxylate
SMILESCCCOC(=O)C1CC1c1ccc(CO)cc1C
InChIInChI=1S/C15H20O3/c1-3-6-18-15(17)14-8-13(14)12-5-4-11(9-16)7-10(12)2/h4-5,7,13-14,16H,3,6,8-9H2,1-2H3
InChIKeyNKHKMAIGOBLQHZ-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.54
Rot. Bonds5

About propyl 2-[4-(hydroxymethyl)-2-methylphenyl]cyclopropane-1-carboxylate

propyl 2-[4-(hydroxymethyl)-2-methylphenyl]cyclopropane-1-carboxylate (PubChem CID 167287480) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is propyl 2-[4-(hydroxymethyl)-2-methylphenyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namepropyl 2-[4-(hydroxymethyl)-2-methylphenyl]cyclopropane-1-carboxylate
PubChem CID167287480
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Namepropyl 2-[4-(hydroxymethyl)-2-methylphenyl]cyclopropane-1-carboxylate
SMILESCCCOC(=O)C1CC1c1ccc(CO)cc1C
InChIInChI=1S/C15H20O3/c1-3-6-18-15(17)14-8-13(14)12-5-4-11(9-16)7-10(12)2/h4-5,7,13-14,16H,3,6,8-9H2,1-2H3
InChIKeyNKHKMAIGOBLQHZ-UHFFFAOYSA-N
XLogP2.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propyl 2-[4-(hydroxymethyl)-2-methylphenyl]cyclopropane-1-carboxylate?
The IUPAC name of propyl 2-[4-(hydroxymethyl)-2-methylphenyl]cyclopropane-1-carboxylate (CID 167287480) is propyl 2-[4-(hydroxymethyl)-2-methylphenyl]cyclopropane-1-carboxylate.
What is the SMILES notation for propyl 2-[4-(hydroxymethyl)-2-methylphenyl]cyclopropane-1-carboxylate?
The canonical SMILES for propyl 2-[4-(hydroxymethyl)-2-methylphenyl]cyclopropane-1-carboxylate is CCCOC(=O)C1CC1c1ccc(CO)cc1C.
What is the InChIKey of propyl 2-[4-(hydroxymethyl)-2-methylphenyl]cyclopropane-1-carboxylate?
The InChIKey is NKHKMAIGOBLQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-3-6-18-15(17)14-8-13(14)12-5-4-11(9-16)7-10(12)2/h4-5,7,13-14,16H,3,6,8-9H2,1-2H3.
What are the key properties of propyl 2-[4-(hydroxymethyl)-2-methylphenyl]cyclopropane-1-carboxylate?
propyl 2-[4-(hydroxymethyl)-2-methylphenyl]cyclopropane-1-carboxylate has a molecular weight of 248.32 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[4-(hydroxymethyl)-2-methylphenyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 167287480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).