1-methoxy-4-methylidene-1-phenylhexan-2-ol

C14H20O2 — CID 116756832

IUPAC1-methoxy-4-methylidene-1-phenylhexan-2-ol
SMILESC=C(CC)CC(O)C(OC)c1ccccc1
InChIInChI=1S/C14H20O2/c1-4-11(2)10-13(15)14(16-3)12-8-6-5-7-9-12/h5-9,13-15H,2,4,10H2,1,3H3
InChIKeyOKYLXUYXQFZHEK-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.09
Rot. Bonds6

About 1-methoxy-4-methylidene-1-phenylhexan-2-ol

1-methoxy-4-methylidene-1-phenylhexan-2-ol (PubChem CID 116756832) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-methoxy-4-methylidene-1-phenylhexan-2-ol.

Molecular Properties

Compound Name1-methoxy-4-methylidene-1-phenylhexan-2-ol
PubChem CID116756832
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1-methoxy-4-methylidene-1-phenylhexan-2-ol
SMILESC=C(CC)CC(O)C(OC)c1ccccc1
InChIInChI=1S/C14H20O2/c1-4-11(2)10-13(15)14(16-3)12-8-6-5-7-9-12/h5-9,13-15H,2,4,10H2,1,3H3
InChIKeyOKYLXUYXQFZHEK-UHFFFAOYSA-N
XLogP3.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-1-phenylbutan-2-ol
CID 116756893
(2S,3R)-3-methoxy-3-phenylpropane-1,2-diol
CID 14249015
1-methoxy-4-methylidene-1-phenyl-N-propylhexan-2-amine
CID 116773267
1-methoxy-6-methyl-1-phenylheptan-2-ol
CID 116756994
3-(3,5-dimethylphenyl)-1-methoxy-1-phenylpropan-2-ol
CID 116757000
(2R,3S)-2-iodo-3-methoxy-3-phenylpropan-1-ol
CID 102517713
(3-methylidene-1-phenylpentyl)hydrazine
CID 105199375
3-(2,6-difluorophenyl)-1-methoxy-1-phenylpropan-2-ol
CID 114931735
(3R,6S)-6-[(R)-methoxy(phenyl)methyl]-2-methyl-5-methylidene-8-phenyloctan-3-ol
CID 101145268
[(1S,2S)-1-ethoxy-2-methoxy-2-phenylethyl]benzene
CID 143834566
1-methoxy-3-(3-methoxyphenyl)-1-phenylpropan-2-ol
CID 116757004
1-(2-ethoxyphenyl)-2-methoxy-2-phenylethanol
CID 116757008

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-methylidene-1-phenylhexan-2-ol?
The IUPAC name of 1-methoxy-4-methylidene-1-phenylhexan-2-ol (CID 116756832) is 1-methoxy-4-methylidene-1-phenylhexan-2-ol.
What is the SMILES notation for 1-methoxy-4-methylidene-1-phenylhexan-2-ol?
The canonical SMILES for 1-methoxy-4-methylidene-1-phenylhexan-2-ol is C=C(CC)CC(O)C(OC)c1ccccc1.
What is the InChIKey of 1-methoxy-4-methylidene-1-phenylhexan-2-ol?
The InChIKey is OKYLXUYXQFZHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-4-11(2)10-13(15)14(16-3)12-8-6-5-7-9-12/h5-9,13-15H,2,4,10H2,1,3H3.
What are the key properties of 1-methoxy-4-methylidene-1-phenylhexan-2-ol?
1-methoxy-4-methylidene-1-phenylhexan-2-ol has a molecular weight of 220.31 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-methylidene-1-phenylhexan-2-ol is sourced from PubChem (CID 116756832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).