2-[1-(3-methoxy-5-methylphenyl)propyl]-4-methylphenol

C18H22O2 — CID 163502977

IUPAC2-[1-(3-methoxy-5-methylphenyl)propyl]-4-methylphenol
SMILESCCC(c1cc(C)cc(OC)c1)c1cc(C)ccc1O
InChIInChI=1S/C18H22O2/c1-5-16(17-10-12(2)6-7-18(17)19)14-8-13(3)9-15(11-14)20-4/h6-11,16,19H,5H2,1-4H3
InChIKeyCWHCGDGJYVRVEW-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.56
Rot. Bonds4

About 2-[1-(3-methoxy-5-methylphenyl)propyl]-4-methylphenol

2-[1-(3-methoxy-5-methylphenyl)propyl]-4-methylphenol (PubChem CID 163502977) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[1-(3-methoxy-5-methylphenyl)propyl]-4-methylphenol.

Molecular Properties

Compound Name2-[1-(3-methoxy-5-methylphenyl)propyl]-4-methylphenol
PubChem CID163502977
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name2-[1-(3-methoxy-5-methylphenyl)propyl]-4-methylphenol
SMILESCCC(c1cc(C)cc(OC)c1)c1cc(C)ccc1O
InChIInChI=1S/C18H22O2/c1-5-16(17-10-12(2)6-7-18(17)19)14-8-13(3)9-15(11-14)20-4/h6-11,16,19H,5H2,1-4H3
InChIKeyCWHCGDGJYVRVEW-UHFFFAOYSA-N
XLogP4.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxy-5-methylphenyl)propyl]-4-methylphenol?
The IUPAC name of 2-[1-(3-methoxy-5-methylphenyl)propyl]-4-methylphenol (CID 163502977) is 2-[1-(3-methoxy-5-methylphenyl)propyl]-4-methylphenol.
What is the SMILES notation for 2-[1-(3-methoxy-5-methylphenyl)propyl]-4-methylphenol?
The canonical SMILES for 2-[1-(3-methoxy-5-methylphenyl)propyl]-4-methylphenol is CCC(c1cc(C)cc(OC)c1)c1cc(C)ccc1O.
What is the InChIKey of 2-[1-(3-methoxy-5-methylphenyl)propyl]-4-methylphenol?
The InChIKey is CWHCGDGJYVRVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-5-16(17-10-12(2)6-7-18(17)19)14-8-13(3)9-15(11-14)20-4/h6-11,16,19H,5H2,1-4H3.
What are the key properties of 2-[1-(3-methoxy-5-methylphenyl)propyl]-4-methylphenol?
2-[1-(3-methoxy-5-methylphenyl)propyl]-4-methylphenol has a molecular weight of 270.37 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxy-5-methylphenyl)propyl]-4-methylphenol is sourced from PubChem (CID 163502977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).