5-methyl-3-phenyloctan-4-ol

C15H24O — CID 107894691

IUPAC5-methyl-3-phenyloctan-4-ol
SMILESCCCC(C)C(O)C(CC)c1ccccc1
InChIInChI=1S/C15H24O/c1-4-9-12(3)15(16)14(5-2)13-10-7-6-8-11-13/h6-8,10-12,14-16H,4-5,9H2,1-3H3
InChIKeyCOGLGEFECIVOGW-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.98
Rot. Bonds6

About 5-methyl-3-phenyloctan-4-ol

5-methyl-3-phenyloctan-4-ol (PubChem CID 107894691) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 5-methyl-3-phenyloctan-4-ol.

Molecular Properties

Compound Name5-methyl-3-phenyloctan-4-ol
PubChem CID107894691
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name5-methyl-3-phenyloctan-4-ol
SMILESCCCC(C)C(O)C(CC)c1ccccc1
InChIInChI=1S/C15H24O/c1-4-9-12(3)15(16)14(5-2)13-10-7-6-8-11-13/h6-8,10-12,14-16H,4-5,9H2,1-3H3
InChIKeyCOGLGEFECIVOGW-UHFFFAOYSA-N
XLogP3.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-amino-4-methyl-2-phenylheptan-3-ol
CID 65186108
(2S)-3-phenylpentan-2-ol
CID 45048673
(1R,2R)-1,2-diphenylpentan-1-ol
CID 102474717
1-amino-2-(4-bromophenyl)-4-methylheptan-3-ol
CID 65186020
3-phenylhexane-1,2-diol
CID 139772655
ethyl 2-hydroxy-3-phenylpentanoate
CID 66289618
(1-iodo-2-methylpentyl)benzene
CID 174742530
[(2S)-1,1-diphenylbutan-2-yl]benzene
CID 101326862
1-amino-2-(2-fluorophenyl)-4-methylheptan-3-ol
CID 65185567
3-methyl-5-phenylheptan-4-amine
CID 105017445
2-ethyl-4-phenyl-3-propylhexanoic acid
CID 70503119
N-ethyl-3-phenylheptan-4-amine
CID 83051533

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyloctan-4-ol?
The IUPAC name of 5-methyl-3-phenyloctan-4-ol (CID 107894691) is 5-methyl-3-phenyloctan-4-ol.
What is the SMILES notation for 5-methyl-3-phenyloctan-4-ol?
The canonical SMILES for 5-methyl-3-phenyloctan-4-ol is CCCC(C)C(O)C(CC)c1ccccc1.
What is the InChIKey of 5-methyl-3-phenyloctan-4-ol?
The InChIKey is COGLGEFECIVOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-4-9-12(3)15(16)14(5-2)13-10-7-6-8-11-13/h6-8,10-12,14-16H,4-5,9H2,1-3H3.
What are the key properties of 5-methyl-3-phenyloctan-4-ol?
5-methyl-3-phenyloctan-4-ol has a molecular weight of 220.36 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyloctan-4-ol is sourced from PubChem (CID 107894691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).