3-[(E)-undec-5-en-10-ynyl]phenol

C17H22O — CID 146683877

IUPAC3-[(E)-undec-5-en-10-ynyl]phenol
SMILESC#CCCC/C=C/CCCCc1cccc(O)c1
InChIInChI=1S/C17H22O/c1-2-3-4-5-6-7-8-9-10-12-16-13-11-14-17(18)15-16/h1,6-7,11,13-15,18H,3-5,8-10,12H2/b7-6+
InChIKeyONAACYBLFDMUOW-VOTSOKGWSA-N
MW242.36 g/mol
LogP4.46
Rot. Bonds8

About 3-[(E)-undec-5-en-10-ynyl]phenol

3-[(E)-undec-5-en-10-ynyl]phenol (PubChem CID 146683877) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-[(E)-undec-5-en-10-ynyl]phenol.

Molecular Properties

Compound Name3-[(E)-undec-5-en-10-ynyl]phenol
PubChem CID146683877
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Name3-[(E)-undec-5-en-10-ynyl]phenol
SMILESC#CCCC/C=C/CCCCc1cccc(O)c1
InChIInChI=1S/C17H22O/c1-2-3-4-5-6-7-8-9-10-12-16-13-11-14-17(18)15-16/h1,6-7,11,13-15,18H,3-5,8-10,12H2/b7-6+
InChIKeyONAACYBLFDMUOW-VOTSOKGWSA-N
XLogP4.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 54.46
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 85121272
3-[12-(3-hydroxyphenyl)dodecyl]phenol
CID 169297924
3-(4-hydroxybutyl)phenol
CID 19991537
[(E)-oct-2-en-7-ynyl]benzene
CID 101423636
3-(4-iodobutyl)phenol
CID 174588102
3-hentriacontylphenol
CID 101292722
3-octacosylphenol
CID 101292719
3-(3-sulfanylpropyl)phenol
CID 57206434
4-hex-5-ynylphenol
CID 57017848
3-[2-(prop-2-ynylamino)ethyl]phenol
CID 10921791
3-(3-iminopropyl)phenol
CID 142028665
2-(3-hydroxyphenyl)ethyl-prop-2-ynylazanium chloride
CID 10921790

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-undec-5-en-10-ynyl]phenol?
The IUPAC name of 3-[(E)-undec-5-en-10-ynyl]phenol (CID 146683877) is 3-[(E)-undec-5-en-10-ynyl]phenol.
What is the SMILES notation for 3-[(E)-undec-5-en-10-ynyl]phenol?
The canonical SMILES for 3-[(E)-undec-5-en-10-ynyl]phenol is C#CCCC/C=C/CCCCc1cccc(O)c1.
What is the InChIKey of 3-[(E)-undec-5-en-10-ynyl]phenol?
The InChIKey is ONAACYBLFDMUOW-VOTSOKGWSA-N. The full InChI is InChI=1S/C17H22O/c1-2-3-4-5-6-7-8-9-10-12-16-13-11-14-17(18)15-16/h1,6-7,11,13-15,18H,3-5,8-10,12H2/b7-6+.
What are the key properties of 3-[(E)-undec-5-en-10-ynyl]phenol?
3-[(E)-undec-5-en-10-ynyl]phenol has a molecular weight of 242.36 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-undec-5-en-10-ynyl]phenol is sourced from PubChem (CID 146683877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).