4-methyl-6-phenylhexan-2-ol

C13H20O — CID 64721672

IUPAC4-methyl-6-phenylhexan-2-ol
SMILESCC(O)CC(C)CCc1ccccc1
InChIInChI=1S/C13H20O/c1-11(10-12(2)14)8-9-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3
InChIKeyFADMUUMOVSFZHH-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.03
Rot. Bonds5

About 4-methyl-6-phenylhexan-2-ol

4-methyl-6-phenylhexan-2-ol (PubChem CID 64721672) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 4-methyl-6-phenylhexan-2-ol.

Molecular Properties

Compound Name4-methyl-6-phenylhexan-2-ol
PubChem CID64721672
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name4-methyl-6-phenylhexan-2-ol
SMILESCC(O)CC(C)CCc1ccccc1
InChIInChI=1S/C13H20O/c1-11(10-12(2)14)8-9-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3
InChIKeyFADMUUMOVSFZHH-UHFFFAOYSA-N
XLogP3.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-phenylhexan-2-ol?
The IUPAC name of 4-methyl-6-phenylhexan-2-ol (CID 64721672) is 4-methyl-6-phenylhexan-2-ol.
What is the SMILES notation for 4-methyl-6-phenylhexan-2-ol?
The canonical SMILES for 4-methyl-6-phenylhexan-2-ol is CC(O)CC(C)CCc1ccccc1.
What is the InChIKey of 4-methyl-6-phenylhexan-2-ol?
The InChIKey is FADMUUMOVSFZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-11(10-12(2)14)8-9-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3.
What are the key properties of 4-methyl-6-phenylhexan-2-ol?
4-methyl-6-phenylhexan-2-ol has a molecular weight of 192.30 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-phenylhexan-2-ol is sourced from PubChem (CID 64721672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).