1-(4-hex-5-ynoxyphenyl)pentan-3-ol

C17H24O2 — CID 118434145

IUPAC1-(4-hex-5-ynoxyphenyl)pentan-3-ol
SMILESC#CCCCCOc1ccc(CCC(O)CC)cc1
InChIInChI=1S/C17H24O2/c1-3-5-6-7-14-19-17-12-9-15(10-13-17)8-11-16(18)4-2/h1,9-10,12-13,16,18H,4-8,11,14H2,2H3
InChIKeyMNERQNKONUPPBP-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.57
Rot. Bonds9

About 1-(4-hex-5-ynoxyphenyl)pentan-3-ol

1-(4-hex-5-ynoxyphenyl)pentan-3-ol (PubChem CID 118434145) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(4-hex-5-ynoxyphenyl)pentan-3-ol.

Molecular Properties

Compound Name1-(4-hex-5-ynoxyphenyl)pentan-3-ol
PubChem CID118434145
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name1-(4-hex-5-ynoxyphenyl)pentan-3-ol
SMILESC#CCCCCOc1ccc(CCC(O)CC)cc1
InChIInChI=1S/C17H24O2/c1-3-5-6-7-14-19-17-12-9-15(10-13-17)8-11-16(18)4-2/h1,9-10,12-13,16,18H,4-8,11,14H2,2H3
InChIKeyMNERQNKONUPPBP-UHFFFAOYSA-N
XLogP3.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-pent-4-ynoxyphenyl)butan-2-ol
CID 113343854
1-but-3-ynoxy-4-propylbenzene
CID 63654834
(2R)-4-(4-butoxyphenyl)butan-2-ol
CID 93086996
4-oct-7-ynoxyphenol
CID 166068897
1-[4-[(4-pent-4-ynoxyphenyl)methyl]phenoxy]propan-2-ol
CID 159897530
1-(5,6-diphenylheptyl)-4-hex-5-ynoxybenzene
CID 158783637
2-[2-(4-heptoxyphenyl)ethyl]propanedioic acid
CID 22618800
5-(4-heptoxyphenyl)-3-methylpentan-2-ol
CID 143147990
1-(4-butoxyphenyl)-4,4-dimethylpentan-3-ol
CID 82184926
4-[4-(4-decoxyphenyl)phenyl]butan-2-ol
CID 18927874
1-(4-iodophenyl)pentan-3-ol
CID 65476724
1-pent-4-ynoxy-4-propan-2-ylbenzene
CID 82363089

Frequently Asked Questions

What is the IUPAC name of 1-(4-hex-5-ynoxyphenyl)pentan-3-ol?
The IUPAC name of 1-(4-hex-5-ynoxyphenyl)pentan-3-ol (CID 118434145) is 1-(4-hex-5-ynoxyphenyl)pentan-3-ol.
What is the SMILES notation for 1-(4-hex-5-ynoxyphenyl)pentan-3-ol?
The canonical SMILES for 1-(4-hex-5-ynoxyphenyl)pentan-3-ol is C#CCCCCOc1ccc(CCC(O)CC)cc1.
What is the InChIKey of 1-(4-hex-5-ynoxyphenyl)pentan-3-ol?
The InChIKey is MNERQNKONUPPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-3-5-6-7-14-19-17-12-9-15(10-13-17)8-11-16(18)4-2/h1,9-10,12-13,16,18H,4-8,11,14H2,2H3.
What are the key properties of 1-(4-hex-5-ynoxyphenyl)pentan-3-ol?
1-(4-hex-5-ynoxyphenyl)pentan-3-ol has a molecular weight of 260.38 g/mol, XLogP of 3.57, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hex-5-ynoxyphenyl)pentan-3-ol is sourced from PubChem (CID 118434145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).