4-(1-cycloheptyl-2-methylpropan-2-yl)phenol

C17H26O — CID 66619667

IUPAC4-(1-cycloheptyl-2-methylpropan-2-yl)phenol
SMILESCC(C)(CC1CCCCCC1)c1ccc(O)cc1
InChIInChI=1S/C17H26O/c1-17(2,15-9-11-16(18)12-10-15)13-14-7-5-3-4-6-8-14/h9-12,14,18H,3-8,13H2,1-2H3
InChIKeyTXTDGAVBQPTNAD-UHFFFAOYSA-N
MW246.39 g/mol
LogP5.03
Rot. Bonds3

About 4-(1-cycloheptyl-2-methylpropan-2-yl)phenol

4-(1-cycloheptyl-2-methylpropan-2-yl)phenol (PubChem CID 66619667) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 4-(1-cycloheptyl-2-methylpropan-2-yl)phenol.

Molecular Properties

Compound Name4-(1-cycloheptyl-2-methylpropan-2-yl)phenol
PubChem CID66619667
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name4-(1-cycloheptyl-2-methylpropan-2-yl)phenol
SMILESCC(C)(CC1CCCCCC1)c1ccc(O)cc1
InChIInChI=1S/C17H26O/c1-17(2,15-9-11-16(18)12-10-15)13-14-7-5-3-4-6-8-14/h9-12,14,18H,3-8,13H2,1-2H3
InChIKeyTXTDGAVBQPTNAD-UHFFFAOYSA-N
XLogP5.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.39
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(1-cycloheptyl-2-methylpropan-2-yl)phenol?
The IUPAC name of 4-(1-cycloheptyl-2-methylpropan-2-yl)phenol (CID 66619667) is 4-(1-cycloheptyl-2-methylpropan-2-yl)phenol.
What is the SMILES notation for 4-(1-cycloheptyl-2-methylpropan-2-yl)phenol?
The canonical SMILES for 4-(1-cycloheptyl-2-methylpropan-2-yl)phenol is CC(C)(CC1CCCCCC1)c1ccc(O)cc1.
What is the InChIKey of 4-(1-cycloheptyl-2-methylpropan-2-yl)phenol?
The InChIKey is TXTDGAVBQPTNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-17(2,15-9-11-16(18)12-10-15)13-14-7-5-3-4-6-8-14/h9-12,14,18H,3-8,13H2,1-2H3.
What are the key properties of 4-(1-cycloheptyl-2-methylpropan-2-yl)phenol?
4-(1-cycloheptyl-2-methylpropan-2-yl)phenol has a molecular weight of 246.39 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cycloheptyl-2-methylpropan-2-yl)phenol is sourced from PubChem (CID 66619667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).