2-methyl-1-phenylhexane-1,5-diol

C13H20O2 — CID 104846103

IUPAC2-methyl-1-phenylhexane-1,5-diol
SMILESCC(O)CCC(C)C(O)c1ccccc1
InChIInChI=1S/C13H20O2/c1-10(8-9-11(2)14)13(15)12-6-4-3-5-7-12/h3-7,10-11,13-15H,8-9H2,1-2H3
InChIKeyDYNFUCUMWKBJAW-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.52
Rot. Bonds5

About 2-methyl-1-phenylhexane-1,5-diol

2-methyl-1-phenylhexane-1,5-diol (PubChem CID 104846103) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-methyl-1-phenylhexane-1,5-diol.

Molecular Properties

Compound Name2-methyl-1-phenylhexane-1,5-diol
PubChem CID104846103
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2-methyl-1-phenylhexane-1,5-diol
SMILESCC(O)CCC(C)C(O)c1ccccc1
InChIInChI=1S/C13H20O2/c1-10(8-9-11(2)14)13(15)12-6-4-3-5-7-12/h3-7,10-11,13-15H,8-9H2,1-2H3
InChIKeyDYNFUCUMWKBJAW-UHFFFAOYSA-N
XLogP2.52
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-1-phenylpentane-1,4-diol
CID 13204353
(2R)-5-amino-5-phenylpentan-2-ol
CID 68757474
2-methyl-1-phenylnon-8-en-1-ol
CID 107010040
5-methoxy-2,5-dimethyl-1-phenylhexan-1-ol
CID 103036478
1,2-diphenylethane-1,2-diol
CID 159073808
[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium
CID 6922967
2,4,5-trimethyl-1-phenylhexane-1,4-diol
CID 114496760
1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
CID 14066931
(1S,2R)-2-amino-1-phenylpropan-1-ol
CID 26934
(2S)-2-chloro-1-phenylpropan-1-ol
CID 146730708
(1S,2S,3R)-2-methyl-1-phenylbutane-1,3-diol
CID 71349785
3-(2,6-difluorophenyl)-2-methyl-1-phenylpropan-1-ol
CID 114933094

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenylhexane-1,5-diol?
The IUPAC name of 2-methyl-1-phenylhexane-1,5-diol (CID 104846103) is 2-methyl-1-phenylhexane-1,5-diol.
What is the SMILES notation for 2-methyl-1-phenylhexane-1,5-diol?
The canonical SMILES for 2-methyl-1-phenylhexane-1,5-diol is CC(O)CCC(C)C(O)c1ccccc1.
What is the InChIKey of 2-methyl-1-phenylhexane-1,5-diol?
The InChIKey is DYNFUCUMWKBJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-10(8-9-11(2)14)13(15)12-6-4-3-5-7-12/h3-7,10-11,13-15H,8-9H2,1-2H3.
What are the key properties of 2-methyl-1-phenylhexane-1,5-diol?
2-methyl-1-phenylhexane-1,5-diol has a molecular weight of 208.30 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenylhexane-1,5-diol is sourced from PubChem (CID 104846103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).