(1S,4S)-4-(methoxymethyl)-5-methyl-3-methylidene-1-phenylhexan-1-ol

C16H24O2 — CID 10824468

IUPAC(1S,4S)-4-(methoxymethyl)-5-methyl-3-methylidene-1-phenylhexan-1-ol
SMILESC=C(C[C@H](O)c1ccccc1)[C@@H](COC)C(C)C
InChIInChI=1S/C16H24O2/c1-12(2)15(11-18-4)13(3)10-16(17)14-8-6-5-7-9-14/h5-9,12,15-17H,3,10-11H2,1-2,4H3/t15-,16-/m0/s1
InChIKeyUDRYSXQGSOZFOW-HOTGVXAUSA-N
MW248.37 g/mol
LogP3.58
Rot. Bonds7

About (1S,4S)-4-(methoxymethyl)-5-methyl-3-methylidene-1-phenylhexan-1-ol

(1S,4S)-4-(methoxymethyl)-5-methyl-3-methylidene-1-phenylhexan-1-ol (PubChem CID 10824468) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is (1S,4S)-4-(methoxymethyl)-5-methyl-3-methylidene-1-phenylhexan-1-ol.

Molecular Properties

Compound Name(1S,4S)-4-(methoxymethyl)-5-methyl-3-methylidene-1-phenylhexan-1-ol
PubChem CID10824468
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name(1S,4S)-4-(methoxymethyl)-5-methyl-3-methylidene-1-phenylhexan-1-ol
SMILESC=C(C[C@H](O)c1ccccc1)[C@@H](COC)C(C)C
InChIInChI=1S/C16H24O2/c1-12(2)15(11-18-4)13(3)10-16(17)14-8-6-5-7-9-14/h5-9,12,15-17H,3,10-11H2,1-2,4H3/t15-,16-/m0/s1
InChIKeyUDRYSXQGSOZFOW-HOTGVXAUSA-N
XLogP3.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.58
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

(1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-3-methylidene-1-phenylhexan-1-ol
CID 10521719
(1S)-4-methyl-3-methylidene-1-phenylpentan-1-ol
CID 134966288
benzene;2-methoxy-1-phenylethanol
CID 174622919
(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-phenylpentan-1-ol
CID 10542729
(1R)-1,3-diphenylbut-3-en-1-ol
CID 101158023
1-phenyl-2-trimethoxysilylethanol
CID 67153670
(1S)-3-[(R)-cyclohexyl(methoxy)methyl]-1-phenylbut-3-en-1-ol
CID 10540298
3-amino-4-methoxy-1-phenylbutan-1-ol
CID 112704167
(1R)-3-[(1-methoxy-3-methylbutan-2-yl)amino]-1-phenylpropan-1-ol
CID 112742117
(1-methoxy-3-methylbutan-2-yl)benzene
CID 20593836
(3R,6S)-6-[(R)-methoxy(phenyl)methyl]-2-methyl-5-methylidene-8-phenyloctan-3-ol
CID 101145268
(1R)-3,3-dimethoxy-1-phenylpropan-1-ol
CID 11687059

Frequently Asked Questions

What is the IUPAC name of (1S,4S)-4-(methoxymethyl)-5-methyl-3-methylidene-1-phenylhexan-1-ol?
The IUPAC name of (1S,4S)-4-(methoxymethyl)-5-methyl-3-methylidene-1-phenylhexan-1-ol (CID 10824468) is (1S,4S)-4-(methoxymethyl)-5-methyl-3-methylidene-1-phenylhexan-1-ol.
What is the SMILES notation for (1S,4S)-4-(methoxymethyl)-5-methyl-3-methylidene-1-phenylhexan-1-ol?
The canonical SMILES for (1S,4S)-4-(methoxymethyl)-5-methyl-3-methylidene-1-phenylhexan-1-ol is C=C(C[C@H](O)c1ccccc1)[C@@H](COC)C(C)C.
What is the InChIKey of (1S,4S)-4-(methoxymethyl)-5-methyl-3-methylidene-1-phenylhexan-1-ol?
The InChIKey is UDRYSXQGSOZFOW-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H24O2/c1-12(2)15(11-18-4)13(3)10-16(17)14-8-6-5-7-9-14/h5-9,12,15-17H,3,10-11H2,1-2,4H3/t15-,16-/m0/s1.
What are the key properties of (1S,4S)-4-(methoxymethyl)-5-methyl-3-methylidene-1-phenylhexan-1-ol?
(1S,4S)-4-(methoxymethyl)-5-methyl-3-methylidene-1-phenylhexan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-4-(methoxymethyl)-5-methyl-3-methylidene-1-phenylhexan-1-ol is sourced from PubChem (CID 10824468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).