(3R)-2,5-dimethyl-7-phenylhept-4-en-3-ol

C15H22O — CID 71428200

IUPAC(3R)-2,5-dimethyl-7-phenylhept-4-en-3-ol
SMILESCC(=C[C@H](O)C(C)C)CCc1ccccc1
InChIInChI=1S/C15H22O/c1-12(2)15(16)11-13(3)9-10-14-7-5-4-6-8-14/h4-8,11-12,15-16H,9-10H2,1-3H3/t15-/m0/s1
InChIKeyABNPTKDJAPNUQM-HNNXBMFYSA-N
MW218.34 g/mol
LogP3.58
Rot. Bonds5

About (3R)-2,5-dimethyl-7-phenylhept-4-en-3-ol

(3R)-2,5-dimethyl-7-phenylhept-4-en-3-ol (PubChem CID 71428200) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (3R)-2,5-dimethyl-7-phenylhept-4-en-3-ol.

Molecular Properties

Compound Name(3R)-2,5-dimethyl-7-phenylhept-4-en-3-ol
PubChem CID71428200
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(3R)-2,5-dimethyl-7-phenylhept-4-en-3-ol
SMILESCC(=C[C@H](O)C(C)C)CCc1ccccc1
InChIInChI=1S/C15H22O/c1-12(2)15(16)11-13(3)9-10-14-7-5-4-6-8-14/h4-8,11-12,15-16H,9-10H2,1-3H3/t15-/m0/s1
InChIKeyABNPTKDJAPNUQM-HNNXBMFYSA-N
XLogP3.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.58
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

(E,1S)-1-(4-chlorophenyl)-3-methyl-5-phenylpent-2-en-1-ol
CID 122212959
(3-methyl-6-phenylhex-3-enyl)benzene
CID 175487597
(E)-6-bromo-5-methyl-1-phenylhex-4-en-3-ol
CID 11701728
[(Z)-3-methyl-5-phenylpent-2-enyl]-diphenylphosphane
CID 101261387
(E)-4-methyl-6-phenylhex-3-enoic acid
CID 129195259
2-methyl-7-phenylhept-2-en-4-ol
CID 71663928
(5E)-6,10-dimethyl-1-phenylundeca-5,9-dien-4-ol
CID 71663930
(2R)-2-deuterio-4-phenylbutan-2-ol
CID 162415693
2-methyl-7-phenylheptan-3-ol
CID 10976646
(E,3R)-1,5-diphenylhex-4-en-3-ol
CID 15635013
(2E)-5-methyl-7-phenylhepta-2,4-dienal
CID 158943727
2-methyl-7-phenylheptane-3,4-diol
CID 103456597

Frequently Asked Questions

What is the IUPAC name of (3R)-2,5-dimethyl-7-phenylhept-4-en-3-ol?
The IUPAC name of (3R)-2,5-dimethyl-7-phenylhept-4-en-3-ol (CID 71428200) is (3R)-2,5-dimethyl-7-phenylhept-4-en-3-ol.
What is the SMILES notation for (3R)-2,5-dimethyl-7-phenylhept-4-en-3-ol?
The canonical SMILES for (3R)-2,5-dimethyl-7-phenylhept-4-en-3-ol is CC(=C[C@H](O)C(C)C)CCc1ccccc1.
What is the InChIKey of (3R)-2,5-dimethyl-7-phenylhept-4-en-3-ol?
The InChIKey is ABNPTKDJAPNUQM-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H22O/c1-12(2)15(16)11-13(3)9-10-14-7-5-4-6-8-14/h4-8,11-12,15-16H,9-10H2,1-3H3/t15-/m0/s1.
What are the key properties of (3R)-2,5-dimethyl-7-phenylhept-4-en-3-ol?
(3R)-2,5-dimethyl-7-phenylhept-4-en-3-ol has a molecular weight of 218.34 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,5-dimethyl-7-phenylhept-4-en-3-ol is sourced from PubChem (CID 71428200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).