4-[(3S,6R)-3-ethenyl-6-hydroxy-3,7-dimethylocta-1,7-dienyl]phenol

C18H24O2 — CID 162952972

IUPAC4-[(3S,6R)-3-ethenyl-6-hydroxy-3,7-dimethylocta-1,7-dienyl]phenol
SMILESC=C[C@@](C)(C=Cc1ccc(O)cc1)CC[C@@H](O)C(=C)C
InChIInChI=1S/C18H24O2/c1-5-18(4,13-11-17(20)14(2)3)12-10-15-6-8-16(19)9-7-15/h5-10,12,17,19-20H,1-2,11,13H2,3-4H3/t17-,18+/m1/s1
InChIKeyGWTVXRIOJRNDCM-MSOLQXFVSA-N
MW272.39 g/mol
LogP4.31
Rot. Bonds7

About 4-[(3S,6R)-3-ethenyl-6-hydroxy-3,7-dimethylocta-1,7-dienyl]phenol

4-[(3S,6R)-3-ethenyl-6-hydroxy-3,7-dimethylocta-1,7-dienyl]phenol (PubChem CID 162952972) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-[(3S,6R)-3-ethenyl-6-hydroxy-3,7-dimethylocta-1,7-dienyl]phenol.

Molecular Properties

Compound Name4-[(3S,6R)-3-ethenyl-6-hydroxy-3,7-dimethylocta-1,7-dienyl]phenol
PubChem CID162952972
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name4-[(3S,6R)-3-ethenyl-6-hydroxy-3,7-dimethylocta-1,7-dienyl]phenol
SMILESC=C[C@@](C)(C=Cc1ccc(O)cc1)CC[C@@H](O)C(=C)C
InChIInChI=1S/C18H24O2/c1-5-18(4,13-11-17(20)14(2)3)12-10-15-6-8-16(19)9-7-15/h5-10,12,17,19-20H,1-2,11,13H2,3-4H3/t17-,18+/m1/s1
InChIKeyGWTVXRIOJRNDCM-MSOLQXFVSA-N
XLogP4.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(3S,6R)-3-ethenyl-6-hydroxy-3,7-dimethylocta-1,7-dienyl]phenol?
The IUPAC name of 4-[(3S,6R)-3-ethenyl-6-hydroxy-3,7-dimethylocta-1,7-dienyl]phenol (CID 162952972) is 4-[(3S,6R)-3-ethenyl-6-hydroxy-3,7-dimethylocta-1,7-dienyl]phenol.
What is the SMILES notation for 4-[(3S,6R)-3-ethenyl-6-hydroxy-3,7-dimethylocta-1,7-dienyl]phenol?
The canonical SMILES for 4-[(3S,6R)-3-ethenyl-6-hydroxy-3,7-dimethylocta-1,7-dienyl]phenol is C=C[C@@](C)(C=Cc1ccc(O)cc1)CC[C@@H](O)C(=C)C.
What is the InChIKey of 4-[(3S,6R)-3-ethenyl-6-hydroxy-3,7-dimethylocta-1,7-dienyl]phenol?
The InChIKey is GWTVXRIOJRNDCM-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H24O2/c1-5-18(4,13-11-17(20)14(2)3)12-10-15-6-8-16(19)9-7-15/h5-10,12,17,19-20H,1-2,11,13H2,3-4H3/t17-,18+/m1/s1.
What are the key properties of 4-[(3S,6R)-3-ethenyl-6-hydroxy-3,7-dimethylocta-1,7-dienyl]phenol?
4-[(3S,6R)-3-ethenyl-6-hydroxy-3,7-dimethylocta-1,7-dienyl]phenol has a molecular weight of 272.39 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S,6R)-3-ethenyl-6-hydroxy-3,7-dimethylocta-1,7-dienyl]phenol is sourced from PubChem (CID 162952972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).