(1R,2R)-2-ethenyl-1-phenyloctan-1-ol

C16H24O — CID 13312187

IUPAC(1R,2R)-2-ethenyl-1-phenyloctan-1-ol
SMILESC=C[C@@H](CCCCCC)[C@@H](O)c1ccccc1
InChIInChI=1S/C16H24O/c1-3-5-6-8-11-14(4-2)16(17)15-12-9-7-10-13-15/h4,7,9-10,12-14,16-17H,2-3,5-6,8,11H2,1H3/t14-,16+/m0/s1
InChIKeyYWMSYNSYSYNBRH-GOEBONIOSA-N
MW232.37 g/mol
LogP4.49
Rot. Bonds8

About (1R,2R)-2-ethenyl-1-phenyloctan-1-ol

(1R,2R)-2-ethenyl-1-phenyloctan-1-ol (PubChem CID 13312187) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is (1R,2R)-2-ethenyl-1-phenyloctan-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-ethenyl-1-phenyloctan-1-ol
PubChem CID13312187
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name(1R,2R)-2-ethenyl-1-phenyloctan-1-ol
SMILESC=C[C@@H](CCCCCC)[C@@H](O)c1ccccc1
InChIInChI=1S/C16H24O/c1-3-5-6-8-11-14(4-2)16(17)15-12-9-7-10-13-15/h4,7,9-10,12-14,16-17H,2-3,5-6,8,11H2,1H3/t14-,16+/m0/s1
InChIKeyYWMSYNSYSYNBRH-GOEBONIOSA-N
XLogP4.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R)-2-ethenyl-1-phenylheptadecan-1-ol
CID 135804741
(1S)-2-ethenyl-1-phenylhexan-1-ol
CID 135057240
4-ethenyl-3-phenyldodecan-2-one
CID 102429181
(1R)-1-phenyloctan-1-ol
CID 12794259
(5R)-5-[(S)-hydroxy(phenyl)methyl]undec-1-en-4-one
CID 10778735
2-amino-1-phenyloctan-1-ol;hydrochloride
CID 138400765
(1R,2S)-2-ethenyl-4-methyl-1-phenylpentan-1-ol
CID 139262045
(3S,4R)-3-(N-phenylanilino)undec-1-en-4-ol
CID 10893099
ethyl 2-[hydroxy(phenyl)methyl]octanoate
CID 101333316
1,1-diphenyltetradecan-3-ol
CID 102298194
icosan-10-ylbenzene
CID 54351357
hentriacontan-13-ylbenzene
CID 91306613

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-ethenyl-1-phenyloctan-1-ol?
The IUPAC name of (1R,2R)-2-ethenyl-1-phenyloctan-1-ol (CID 13312187) is (1R,2R)-2-ethenyl-1-phenyloctan-1-ol.
What is the SMILES notation for (1R,2R)-2-ethenyl-1-phenyloctan-1-ol?
The canonical SMILES for (1R,2R)-2-ethenyl-1-phenyloctan-1-ol is C=C[C@@H](CCCCCC)[C@@H](O)c1ccccc1.
What is the InChIKey of (1R,2R)-2-ethenyl-1-phenyloctan-1-ol?
The InChIKey is YWMSYNSYSYNBRH-GOEBONIOSA-N. The full InChI is InChI=1S/C16H24O/c1-3-5-6-8-11-14(4-2)16(17)15-12-9-7-10-13-15/h4,7,9-10,12-14,16-17H,2-3,5-6,8,11H2,1H3/t14-,16+/m0/s1.
What are the key properties of (1R,2R)-2-ethenyl-1-phenyloctan-1-ol?
(1R,2R)-2-ethenyl-1-phenyloctan-1-ol has a molecular weight of 232.37 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-ethenyl-1-phenyloctan-1-ol is sourced from PubChem (CID 13312187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).