(1S)-4-methyl-3-methylidene-1-phenylpentan-1-ol

C13H18O — CID 134966288

IUPAC(1S)-4-methyl-3-methylidene-1-phenylpentan-1-ol
SMILESC=C(C[C@H](O)c1ccccc1)C(C)C
InChIInChI=1S/C13H18O/c1-10(2)11(3)9-13(14)12-7-5-4-6-8-12/h4-8,10,13-14H,3,9H2,1-2H3/t13-/m0/s1
InChIKeyYBFXVWRKPQPHBU-ZDUSSCGKSA-N
MW190.29 g/mol
LogP3.32
Rot. Bonds4

About (1S)-4-methyl-3-methylidene-1-phenylpentan-1-ol

(1S)-4-methyl-3-methylidene-1-phenylpentan-1-ol (PubChem CID 134966288) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is (1S)-4-methyl-3-methylidene-1-phenylpentan-1-ol.

Molecular Properties

Compound Name(1S)-4-methyl-3-methylidene-1-phenylpentan-1-ol
PubChem CID134966288
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name(1S)-4-methyl-3-methylidene-1-phenylpentan-1-ol
SMILESC=C(C[C@H](O)c1ccccc1)C(C)C
InChIInChI=1S/C13H18O/c1-10(2)11(3)9-13(14)12-7-5-4-6-8-12/h4-8,10,13-14H,3,9H2,1-2H3/t13-/m0/s1
InChIKeyYBFXVWRKPQPHBU-ZDUSSCGKSA-N
XLogP3.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1,3-diphenylbut-3-en-1-ol
CID 101158023
(1S,4S)-4-(methoxymethyl)-5-methyl-3-methylidene-1-phenylhexan-1-ol
CID 10824468
(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-phenylpentan-1-ol
CID 10542729
(1R)-1-phenyl-3-(trimethylsilylmethyl)but-3-en-1-ol
CID 11183924
(4S)-4-hydroxy-4-phenylbutan-2-one
CID 10888260
(1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-3-methylidene-1-phenylhexan-1-ol
CID 10521719
2-amino-1-phenylethanol;ethane
CID 91425169
[(2R)-2-hydroxy-2-phenylethyl]-[(1R)-1-phenylethyl]azanium
CID 2102131
(1S)-3-[(R)-cyclohexyl(methoxy)methyl]-1-phenylbut-3-en-1-ol
CID 10540298
3-methylidene-1-phenylnonan-1-ol
CID 102449396
(4R)-1-phenylpentane-1,4-diol
CID 13204353
(1R,4S)-1,5-dihydroxy-4-methyl-1-phenylpentan-3-one
CID 139089580

Frequently Asked Questions

What is the IUPAC name of (1S)-4-methyl-3-methylidene-1-phenylpentan-1-ol?
The IUPAC name of (1S)-4-methyl-3-methylidene-1-phenylpentan-1-ol (CID 134966288) is (1S)-4-methyl-3-methylidene-1-phenylpentan-1-ol.
What is the SMILES notation for (1S)-4-methyl-3-methylidene-1-phenylpentan-1-ol?
The canonical SMILES for (1S)-4-methyl-3-methylidene-1-phenylpentan-1-ol is C=C(C[C@H](O)c1ccccc1)C(C)C.
What is the InChIKey of (1S)-4-methyl-3-methylidene-1-phenylpentan-1-ol?
The InChIKey is YBFXVWRKPQPHBU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H18O/c1-10(2)11(3)9-13(14)12-7-5-4-6-8-12/h4-8,10,13-14H,3,9H2,1-2H3/t13-/m0/s1.
What are the key properties of (1S)-4-methyl-3-methylidene-1-phenylpentan-1-ol?
(1S)-4-methyl-3-methylidene-1-phenylpentan-1-ol has a molecular weight of 190.29 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-methyl-3-methylidene-1-phenylpentan-1-ol is sourced from PubChem (CID 134966288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).