(1S,2R)-2-ethenyl-1-phenylheptadecan-1-ol

C25H42O — CID 135804741

IUPAC(1S,2R)-2-ethenyl-1-phenylheptadecan-1-ol
SMILESC=C[C@@H](CCCCCCCCCCCCCCC)[C@H](O)c1ccccc1
InChIInChI=1S/C25H42O/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-20-23(4-2)25(26)24-21-18-16-19-22-24/h4,16,18-19,21-23,25-26H,2-3,5-15,17,20H2,1H3/t23-,25-/m0/s1
InChIKeyGATDOHCAWPWYNZ-ZCYQVOJMSA-N
MW358.61 g/mol
LogP8.00
Rot. Bonds17

About (1S,2R)-2-ethenyl-1-phenylheptadecan-1-ol

(1S,2R)-2-ethenyl-1-phenylheptadecan-1-ol (PubChem CID 135804741) has the molecular formula C25H42O and a molecular weight of 358.61 g/mol. Its IUPAC name is (1S,2R)-2-ethenyl-1-phenylheptadecan-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-ethenyl-1-phenylheptadecan-1-ol
PubChem CID135804741
Molecular FormulaC25H42O
Molecular Weight358.61 g/mol
Exact Mass358.32
IUPAC Name(1S,2R)-2-ethenyl-1-phenylheptadecan-1-ol
SMILESC=C[C@@H](CCCCCCCCCCCCCCC)[C@H](O)c1ccccc1
InChIInChI=1S/C25H42O/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-20-23(4-2)25(26)24-21-18-16-19-22-24/h4,16,18-19,21-23,25-26H,2-3,5-15,17,20H2,1H3/t23-,25-/m0/s1
InChIKeyGATDOHCAWPWYNZ-ZCYQVOJMSA-N
XLogP8.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.61
LogP ≤ 58.00
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

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(1S)-2-ethenyl-1-phenylhexan-1-ol
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(1R)-1-phenyloctan-1-ol
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2-amino-1-phenyloctan-1-ol;hydrochloride
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(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
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hentriacontan-13-ylbenzene
CID 91306613

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-ethenyl-1-phenylheptadecan-1-ol?
The IUPAC name of (1S,2R)-2-ethenyl-1-phenylheptadecan-1-ol (CID 135804741) is (1S,2R)-2-ethenyl-1-phenylheptadecan-1-ol.
What is the SMILES notation for (1S,2R)-2-ethenyl-1-phenylheptadecan-1-ol?
The canonical SMILES for (1S,2R)-2-ethenyl-1-phenylheptadecan-1-ol is C=C[C@@H](CCCCCCCCCCCCCCC)[C@H](O)c1ccccc1.
What is the InChIKey of (1S,2R)-2-ethenyl-1-phenylheptadecan-1-ol?
The InChIKey is GATDOHCAWPWYNZ-ZCYQVOJMSA-N. The full InChI is InChI=1S/C25H42O/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-20-23(4-2)25(26)24-21-18-16-19-22-24/h4,16,18-19,21-23,25-26H,2-3,5-15,17,20H2,1H3/t23-,25-/m0/s1.
What are the key properties of (1S,2R)-2-ethenyl-1-phenylheptadecan-1-ol?
(1S,2R)-2-ethenyl-1-phenylheptadecan-1-ol has a molecular weight of 358.61 g/mol, XLogP of 8.00, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-ethenyl-1-phenylheptadecan-1-ol is sourced from PubChem (CID 135804741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).