6-methyl-5-phenyloct-1-yn-4-ol

C15H20O — CID 115839991

IUPAC6-methyl-5-phenyloct-1-yn-4-ol
SMILESC#CCC(O)C(c1ccccc1)C(C)CC
InChIInChI=1S/C15H20O/c1-4-9-14(16)15(12(3)5-2)13-10-7-6-8-11-13/h1,6-8,10-12,14-16H,5,9H2,2-3H3
InChIKeyHMWNRKPPZYBSHA-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.20
Rot. Bonds5

About 6-methyl-5-phenyloct-1-yn-4-ol

6-methyl-5-phenyloct-1-yn-4-ol (PubChem CID 115839991) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 6-methyl-5-phenyloct-1-yn-4-ol.

Molecular Properties

Compound Name6-methyl-5-phenyloct-1-yn-4-ol
PubChem CID115839991
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name6-methyl-5-phenyloct-1-yn-4-ol
SMILESC#CCC(O)C(c1ccccc1)C(C)CC
InChIInChI=1S/C15H20O/c1-4-9-14(16)15(12(3)5-2)13-10-7-6-8-11-13/h1,6-8,10-12,14-16H,5,9H2,2-3H3
InChIKeyHMWNRKPPZYBSHA-UHFFFAOYSA-N
XLogP3.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-phenylhept-1-yn-4-ol
CID 115840091
N-ethyl-5-methyl-4-phenylhept-1-yn-3-amine
CID 104995781
4-methyl-3-phenyl-1-pyridin-4-ylhexan-2-ol
CID 115814018
1-(4-bromophenyl)-4-methyl-3-phenylhexan-2-ol
CID 114977568
4-methyl-1-(3-methylphenyl)-3-phenylhexan-2-ol
CID 114978141
1-(5-bromo-2-pyridinyl)-4-methyl-3-phenylhexan-2-ol
CID 115833121
5-methyl-4-phenylhept-1-yn-3-one
CID 114978498
1-(furan-2-yl)-3-methyl-2-phenylpentan-1-ol
CID 115797403
4-ethyl-3-phenylhexan-2-ol
CID 135184809
(2S)-3-phenylpentan-2-ol
CID 45048673
N-ethyl-3-methyl-1,2-diphenylpentan-1-amine
CID 43489095
[(2R,3S)-3-methylpentan-2-yl]benzene
CID 142488362

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-phenyloct-1-yn-4-ol?
The IUPAC name of 6-methyl-5-phenyloct-1-yn-4-ol (CID 115839991) is 6-methyl-5-phenyloct-1-yn-4-ol.
What is the SMILES notation for 6-methyl-5-phenyloct-1-yn-4-ol?
The canonical SMILES for 6-methyl-5-phenyloct-1-yn-4-ol is C#CCC(O)C(c1ccccc1)C(C)CC.
What is the InChIKey of 6-methyl-5-phenyloct-1-yn-4-ol?
The InChIKey is HMWNRKPPZYBSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-4-9-14(16)15(12(3)5-2)13-10-7-6-8-11-13/h1,6-8,10-12,14-16H,5,9H2,2-3H3.
What are the key properties of 6-methyl-5-phenyloct-1-yn-4-ol?
6-methyl-5-phenyloct-1-yn-4-ol has a molecular weight of 216.32 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-phenyloct-1-yn-4-ol is sourced from PubChem (CID 115839991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).