1-[4-[(2E)-2-ethylidenehex-5-enoxy]phenyl]propan-2-ol

C17H24O2 — CID 89301664

IUPAC1-[4-[(2E)-2-ethylidenehex-5-enoxy]phenyl]propan-2-ol
SMILESC=CCC/C(=C\C)COc1ccc(CC(C)O)cc1
InChIInChI=1S/C17H24O2/c1-4-6-7-15(5-2)13-19-17-10-8-16(9-11-17)12-14(3)18/h4-5,8-11,14,18H,1,6-7,12-13H2,2-3H3/b15-5+
InChIKeyNUZTVFHFUDVLOT-PJQLUOCWSA-N
MW260.38 g/mol
LogP3.90
Rot. Bonds8

About 1-[4-[(2E)-2-ethylidenehex-5-enoxy]phenyl]propan-2-ol

1-[4-[(2E)-2-ethylidenehex-5-enoxy]phenyl]propan-2-ol (PubChem CID 89301664) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[4-[(2E)-2-ethylidenehex-5-enoxy]phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[4-[(2E)-2-ethylidenehex-5-enoxy]phenyl]propan-2-ol
PubChem CID89301664
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name1-[4-[(2E)-2-ethylidenehex-5-enoxy]phenyl]propan-2-ol
SMILESC=CCC/C(=C\C)COc1ccc(CC(C)O)cc1
InChIInChI=1S/C17H24O2/c1-4-6-7-15(5-2)13-19-17-10-8-16(9-11-17)12-14(3)18/h4-5,8-11,14,18H,1,6-7,12-13H2,2-3H3/b15-5+
InChIKeyNUZTVFHFUDVLOT-PJQLUOCWSA-N
XLogP3.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[(Z)-2,3-dichloroprop-2-enoxy]phenyl]propan-2-ol
CID 115495734
2-[4-(2-hydroxypropyl)phenoxy]acetamide
CID 115495800
1-[4-(4-phenylmethoxyphenyl)phenyl]propan-2-ol
CID 18927881
1-[4-(3-methylbut-2-enoxy)phenyl]propan-2-ol
CID 115495898
N-methyl-1-(4-pent-4-enoxyphenyl)propan-2-amine
CID 113322961
1-[4-(4-methoxybutoxy)phenyl]propan-2-ol
CID 104648035
1-[4-(3-fluoropropoxy)phenyl]propan-2-ol
CID 115495812
4-[4-(2-hydroxypropyl)phenoxy]butan-1-ol
CID 115495833
methyl 3-[4-(2-hydroxypropyl)phenoxy]propanoate
CID 113323144
1-[4-(2-isothiocyanatoethoxy)phenyl]propan-2-ol
CID 56629229
N-methyl-1-[4-(2-methylidenebutoxy)phenyl]propan-2-amine
CID 115494827
1-[4-(pyridin-4-ylmethoxy)phenyl]propan-2-ol
CID 113323114

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2E)-2-ethylidenehex-5-enoxy]phenyl]propan-2-ol?
The IUPAC name of 1-[4-[(2E)-2-ethylidenehex-5-enoxy]phenyl]propan-2-ol (CID 89301664) is 1-[4-[(2E)-2-ethylidenehex-5-enoxy]phenyl]propan-2-ol.
What is the SMILES notation for 1-[4-[(2E)-2-ethylidenehex-5-enoxy]phenyl]propan-2-ol?
The canonical SMILES for 1-[4-[(2E)-2-ethylidenehex-5-enoxy]phenyl]propan-2-ol is C=CCC/C(=C\C)COc1ccc(CC(C)O)cc1.
What is the InChIKey of 1-[4-[(2E)-2-ethylidenehex-5-enoxy]phenyl]propan-2-ol?
The InChIKey is NUZTVFHFUDVLOT-PJQLUOCWSA-N. The full InChI is InChI=1S/C17H24O2/c1-4-6-7-15(5-2)13-19-17-10-8-16(9-11-17)12-14(3)18/h4-5,8-11,14,18H,1,6-7,12-13H2,2-3H3/b15-5+.
What are the key properties of 1-[4-[(2E)-2-ethylidenehex-5-enoxy]phenyl]propan-2-ol?
1-[4-[(2E)-2-ethylidenehex-5-enoxy]phenyl]propan-2-ol has a molecular weight of 260.38 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2E)-2-ethylidenehex-5-enoxy]phenyl]propan-2-ol is sourced from PubChem (CID 89301664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).