2-(6-methylheptan-2-yl)phenol

C14H22O — CID 163037790

IUPAC2-(6-methylheptan-2-yl)phenol
SMILESCC(C)CCCC(C)c1ccccc1O
InChIInChI=1S/C14H22O/c1-11(2)7-6-8-12(3)13-9-4-5-10-14(13)15/h4-5,9-12,15H,6-8H2,1-3H3
InChIKeyKERGNJFAPNPNBH-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.32
Rot. Bonds5

About 2-(6-methylheptan-2-yl)phenol

2-(6-methylheptan-2-yl)phenol (PubChem CID 163037790) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-(6-methylheptan-2-yl)phenol.

Molecular Properties

Compound Name2-(6-methylheptan-2-yl)phenol
PubChem CID163037790
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name2-(6-methylheptan-2-yl)phenol
SMILESCC(C)CCCC(C)c1ccccc1O
InChIInChI=1S/C14H22O/c1-11(2)7-6-8-12(3)13-9-4-5-10-14(13)15/h4-5,9-12,15H,6-8H2,1-3H3
InChIKeyKERGNJFAPNPNBH-UHFFFAOYSA-N
XLogP4.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methylheptan-2-yl)phenol?
The IUPAC name of 2-(6-methylheptan-2-yl)phenol (CID 163037790) is 2-(6-methylheptan-2-yl)phenol.
What is the SMILES notation for 2-(6-methylheptan-2-yl)phenol?
The canonical SMILES for 2-(6-methylheptan-2-yl)phenol is CC(C)CCCC(C)c1ccccc1O.
What is the InChIKey of 2-(6-methylheptan-2-yl)phenol?
The InChIKey is KERGNJFAPNPNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-11(2)7-6-8-12(3)13-9-4-5-10-14(13)15/h4-5,9-12,15H,6-8H2,1-3H3.
What are the key properties of 2-(6-methylheptan-2-yl)phenol?
2-(6-methylheptan-2-yl)phenol has a molecular weight of 206.33 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylheptan-2-yl)phenol is sourced from PubChem (CID 163037790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).