2-(3-methoxy-5-methylphenyl)-3-methylcyclopent-2-en-1-ol

C14H18O2 — CID 71578393

IUPAC2-(3-methoxy-5-methylphenyl)-3-methylcyclopent-2-en-1-ol
SMILESCOc1cc(C)cc(C2=C(C)CCC2O)c1
InChIInChI=1S/C14H18O2/c1-9-6-11(8-12(7-9)16-3)14-10(2)4-5-13(14)15/h6-8,13,15H,4-5H2,1-3H3
InChIKeyNMDMYJNHVOTSLX-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.93
Rot. Bonds2

About 2-(3-methoxy-5-methylphenyl)-3-methylcyclopent-2-en-1-ol

2-(3-methoxy-5-methylphenyl)-3-methylcyclopent-2-en-1-ol (PubChem CID 71578393) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(3-methoxy-5-methylphenyl)-3-methylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name2-(3-methoxy-5-methylphenyl)-3-methylcyclopent-2-en-1-ol
PubChem CID71578393
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2-(3-methoxy-5-methylphenyl)-3-methylcyclopent-2-en-1-ol
SMILESCOc1cc(C)cc(C2=C(C)CCC2O)c1
InChIInChI=1S/C14H18O2/c1-9-6-11(8-12(7-9)16-3)14-10(2)4-5-13(14)15/h6-8,13,15H,4-5H2,1-3H3
InChIKeyNMDMYJNHVOTSLX-UHFFFAOYSA-N
XLogP2.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-5-methylphenyl)-3-methylcyclopent-2-en-1-ol?
The IUPAC name of 2-(3-methoxy-5-methylphenyl)-3-methylcyclopent-2-en-1-ol (CID 71578393) is 2-(3-methoxy-5-methylphenyl)-3-methylcyclopent-2-en-1-ol.
What is the SMILES notation for 2-(3-methoxy-5-methylphenyl)-3-methylcyclopent-2-en-1-ol?
The canonical SMILES for 2-(3-methoxy-5-methylphenyl)-3-methylcyclopent-2-en-1-ol is COc1cc(C)cc(C2=C(C)CCC2O)c1.
What is the InChIKey of 2-(3-methoxy-5-methylphenyl)-3-methylcyclopent-2-en-1-ol?
The InChIKey is NMDMYJNHVOTSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-9-6-11(8-12(7-9)16-3)14-10(2)4-5-13(14)15/h6-8,13,15H,4-5H2,1-3H3.
What are the key properties of 2-(3-methoxy-5-methylphenyl)-3-methylcyclopent-2-en-1-ol?
2-(3-methoxy-5-methylphenyl)-3-methylcyclopent-2-en-1-ol has a molecular weight of 218.30 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-5-methylphenyl)-3-methylcyclopent-2-en-1-ol is sourced from PubChem (CID 71578393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).