(1R,2S)-2-ethenyl-4-methyl-1-phenylpentan-1-ol

C14H20O — CID 139262045

IUPAC(1R,2S)-2-ethenyl-4-methyl-1-phenylpentan-1-ol
SMILESC=C[C@H](CC(C)C)[C@@H](O)c1ccccc1
InChIInChI=1S/C14H20O/c1-4-12(10-11(2)3)14(15)13-8-6-5-7-9-13/h4-9,11-12,14-15H,1,10H2,2-3H3/t12-,14-/m1/s1
InChIKeyDWURTJZTIPPNDX-TZMCWYRMSA-N
MW204.31 g/mol
LogP3.57
Rot. Bonds5

About (1R,2S)-2-ethenyl-4-methyl-1-phenylpentan-1-ol

(1R,2S)-2-ethenyl-4-methyl-1-phenylpentan-1-ol (PubChem CID 139262045) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is (1R,2S)-2-ethenyl-4-methyl-1-phenylpentan-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-ethenyl-4-methyl-1-phenylpentan-1-ol
PubChem CID139262045
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name(1R,2S)-2-ethenyl-4-methyl-1-phenylpentan-1-ol
SMILESC=C[C@H](CC(C)C)[C@@H](O)c1ccccc1
InChIInChI=1S/C14H20O/c1-4-12(10-11(2)3)14(15)13-8-6-5-7-9-13/h4-9,11-12,14-15H,1,10H2,2-3H3/t12-,14-/m1/s1
InChIKeyDWURTJZTIPPNDX-TZMCWYRMSA-N
XLogP3.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.57
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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(1R,2R)-4-methyl-1,2-diphenylpentan-1-ol
CID 6976778
2-ethenyl-1,3-diphenylpropane-1,3-diol
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CID 101163130
(1R,2S)-1-phenyl-2-trimethylsilylbut-3-en-1-ol
CID 12705031
(1S,2R)-2-[bis(prop-2-enyl)amino]-1-phenylpropan-1-ol
CID 11064277
5-methyl-1-phenyl-2-prop-1-en-2-ylhept-6-en-1-ol
CID 135039340
(E,1S,2R)-2-ethenyl-1-phenyl-7-trimethylsilylhept-5-en-1-ol;trichlorotitanium
CID 10478498
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CID 159073808

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-ethenyl-4-methyl-1-phenylpentan-1-ol?
The IUPAC name of (1R,2S)-2-ethenyl-4-methyl-1-phenylpentan-1-ol (CID 139262045) is (1R,2S)-2-ethenyl-4-methyl-1-phenylpentan-1-ol.
What is the SMILES notation for (1R,2S)-2-ethenyl-4-methyl-1-phenylpentan-1-ol?
The canonical SMILES for (1R,2S)-2-ethenyl-4-methyl-1-phenylpentan-1-ol is C=C[C@H](CC(C)C)[C@@H](O)c1ccccc1.
What is the InChIKey of (1R,2S)-2-ethenyl-4-methyl-1-phenylpentan-1-ol?
The InChIKey is DWURTJZTIPPNDX-TZMCWYRMSA-N. The full InChI is InChI=1S/C14H20O/c1-4-12(10-11(2)3)14(15)13-8-6-5-7-9-13/h4-9,11-12,14-15H,1,10H2,2-3H3/t12-,14-/m1/s1.
What are the key properties of (1R,2S)-2-ethenyl-4-methyl-1-phenylpentan-1-ol?
(1R,2S)-2-ethenyl-4-methyl-1-phenylpentan-1-ol has a molecular weight of 204.31 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-ethenyl-4-methyl-1-phenylpentan-1-ol is sourced from PubChem (CID 139262045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).