(E,4S)-6-methyl-4-(2-phenylethyl)hept-2-en-4-ol

C16H24O — CID 154719951

IUPAC(E,4S)-6-methyl-4-(2-phenylethyl)hept-2-en-4-ol
SMILESC/C=C/[C@](O)(CCc1ccccc1)CC(C)C
InChIInChI=1S/C16H24O/c1-4-11-16(17,13-14(2)3)12-10-15-8-6-5-7-9-15/h4-9,11,14,17H,10,12-13H2,1-3H3/b11-4+/t16-/m0/s1
InChIKeyCYOWSJPTZOUFRN-VBGPOXQHSA-N
MW232.37 g/mol
LogP3.97
Rot. Bonds6

About (E,4S)-6-methyl-4-(2-phenylethyl)hept-2-en-4-ol

(E,4S)-6-methyl-4-(2-phenylethyl)hept-2-en-4-ol (PubChem CID 154719951) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is (E,4S)-6-methyl-4-(2-phenylethyl)hept-2-en-4-ol.

Molecular Properties

Compound Name(E,4S)-6-methyl-4-(2-phenylethyl)hept-2-en-4-ol
PubChem CID154719951
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name(E,4S)-6-methyl-4-(2-phenylethyl)hept-2-en-4-ol
SMILESC/C=C/[C@](O)(CCc1ccccc1)CC(C)C
InChIInChI=1S/C16H24O/c1-4-11-16(17,13-14(2)3)12-10-15-8-6-5-7-9-15/h4-9,11,14,17H,10,12-13H2,1-3H3/b11-4+/t16-/m0/s1
InChIKeyCYOWSJPTZOUFRN-VBGPOXQHSA-N
XLogP3.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.97
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

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CID 12643765
3-methyl-1-phenylhex-4-en-3-amine
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CID 10014342
2-methyl-1-(2-methylpropylamino)-4-phenylbutan-2-ol
CID 62774344
2-hydroxy-2-methyl-4-phenylbutanal
CID 10241365
3-methyl-1-(2-methylpropylamino)-5-phenylpentan-3-ol
CID 66003057
2-methyl-1,4-diphenylbutan-2-ol
CID 103642101
N,4-dimethyl-1-phenyl-3-propan-2-ylpentan-3-amine;hydrobromide
CID 173221051
3-benzyl-5-methylhexan-3-ol
CID 79008448
(5-bromo-3,3-dimethylhexyl)benzene
CID 64718338
(2R,3R)-3-methyl-5-phenyl-2-prop-1-en-2-ylpentane-1,3-diol
CID 146167567
2-(2-phenylethyl)propane-1,2,3-triol
CID 67654093

Frequently Asked Questions

What is the IUPAC name of (E,4S)-6-methyl-4-(2-phenylethyl)hept-2-en-4-ol?
The IUPAC name of (E,4S)-6-methyl-4-(2-phenylethyl)hept-2-en-4-ol (CID 154719951) is (E,4S)-6-methyl-4-(2-phenylethyl)hept-2-en-4-ol.
What is the SMILES notation for (E,4S)-6-methyl-4-(2-phenylethyl)hept-2-en-4-ol?
The canonical SMILES for (E,4S)-6-methyl-4-(2-phenylethyl)hept-2-en-4-ol is C/C=C/[C@](O)(CCc1ccccc1)CC(C)C.
What is the InChIKey of (E,4S)-6-methyl-4-(2-phenylethyl)hept-2-en-4-ol?
The InChIKey is CYOWSJPTZOUFRN-VBGPOXQHSA-N. The full InChI is InChI=1S/C16H24O/c1-4-11-16(17,13-14(2)3)12-10-15-8-6-5-7-9-15/h4-9,11,14,17H,10,12-13H2,1-3H3/b11-4+/t16-/m0/s1.
What are the key properties of (E,4S)-6-methyl-4-(2-phenylethyl)hept-2-en-4-ol?
(E,4S)-6-methyl-4-(2-phenylethyl)hept-2-en-4-ol has a molecular weight of 232.37 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4S)-6-methyl-4-(2-phenylethyl)hept-2-en-4-ol is sourced from PubChem (CID 154719951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).