3-methyl-5-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]phenol

C17H24O2 — CID 145232850

IUPAC3-methyl-5-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]phenol
SMILESCC1=CCC(C(C)(C)Oc2cc(C)cc(O)c2)CC1
InChIInChI=1S/C17H24O2/c1-12-5-7-14(8-6-12)17(3,4)19-16-10-13(2)9-15(18)11-16/h5,9-11,14,18H,6-8H2,1-4H3
InChIKeyYKNFXGOTEQQRMJ-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.60
Rot. Bonds3

About 3-methyl-5-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]phenol

3-methyl-5-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]phenol (PubChem CID 145232850) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-methyl-5-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]phenol.

Molecular Properties

Compound Name3-methyl-5-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]phenol
PubChem CID145232850
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name3-methyl-5-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]phenol
SMILESCC1=CCC(C(C)(C)Oc2cc(C)cc(O)c2)CC1
InChIInChI=1S/C17H24O2/c1-12-5-7-14(8-6-12)17(3,4)19-16-10-13(2)9-15(18)11-16/h5,9-11,14,18H,6-8H2,1-4H3
InChIKeyYKNFXGOTEQQRMJ-UHFFFAOYSA-N
XLogP4.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]phenol?
The IUPAC name of 3-methyl-5-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]phenol (CID 145232850) is 3-methyl-5-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]phenol.
What is the SMILES notation for 3-methyl-5-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]phenol?
The canonical SMILES for 3-methyl-5-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]phenol is CC1=CCC(C(C)(C)Oc2cc(C)cc(O)c2)CC1.
What is the InChIKey of 3-methyl-5-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]phenol?
The InChIKey is YKNFXGOTEQQRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-12-5-7-14(8-6-12)17(3,4)19-16-10-13(2)9-15(18)11-16/h5,9-11,14,18H,6-8H2,1-4H3.
What are the key properties of 3-methyl-5-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]phenol?
3-methyl-5-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]phenol has a molecular weight of 260.38 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]phenol is sourced from PubChem (CID 145232850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).