1-(2-pent-3-ynoxyphenyl)propan-1-ol

C14H18O2 — CID 104808206

IUPAC1-(2-pent-3-ynoxyphenyl)propan-1-ol
SMILESCC#CCCOc1ccccc1C(O)CC
InChIInChI=1S/C14H18O2/c1-3-5-8-11-16-14-10-7-6-9-12(14)13(15)4-2/h6-7,9-10,13,15H,4,8,11H2,1-2H3
InChIKeyIEPQCNTUTMXPBV-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.92
Rot. Bonds5

About 1-(2-pent-3-ynoxyphenyl)propan-1-ol

1-(2-pent-3-ynoxyphenyl)propan-1-ol (PubChem CID 104808206) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(2-pent-3-ynoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(2-pent-3-ynoxyphenyl)propan-1-ol
PubChem CID104808206
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name1-(2-pent-3-ynoxyphenyl)propan-1-ol
SMILESCC#CCCOc1ccccc1C(O)CC
InChIInChI=1S/C14H18O2/c1-3-5-8-11-16-14-10-7-6-9-12(14)13(15)4-2/h6-7,9-10,13,15H,4,8,11H2,1-2H3
InChIKeyIEPQCNTUTMXPBV-UHFFFAOYSA-N
XLogP2.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.92
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

N-ethyl-1-(2-pent-3-ynoxyphenyl)propan-1-amine
CID 104804539
(1S)-1-(2-hexoxyphenyl)propan-1-ol
CID 78930140
1-(2-heptoxyphenyl)propan-1-ol
CID 43503487
(1S)-1-(2-heptoxyphenyl)propan-1-ol
CID 78944609
N-methyl-1-(2-pent-3-ynoxyphenyl)ethanamine
CID 104804559
5-[2-[(1R)-1-hydroxypropyl]phenoxy]pentan-1-ol
CID 78931048
(1S)-1-[2-[2-(diethylamino)ethoxy]phenyl]propan-1-ol
CID 78930393
(1S)-1-[2-(3,3,3-trifluoropropoxy)phenyl]propan-1-ol
CID 78996550
(1S)-1-(2-prop-2-ynoxyphenyl)propan-1-ol
CID 63365133
(1S)-1-[2-(4-phenylbutoxy)phenyl]propan-1-ol
CID 104893874
(1R)-1-[2-(3-ethylsulfonylpropoxy)phenyl]propan-1-ol
CID 65098384
1-[2-(2-propoxyphenoxy)phenyl]propan-1-ol
CID 115996062

Frequently Asked Questions

What is the IUPAC name of 1-(2-pent-3-ynoxyphenyl)propan-1-ol?
The IUPAC name of 1-(2-pent-3-ynoxyphenyl)propan-1-ol (CID 104808206) is 1-(2-pent-3-ynoxyphenyl)propan-1-ol.
What is the SMILES notation for 1-(2-pent-3-ynoxyphenyl)propan-1-ol?
The canonical SMILES for 1-(2-pent-3-ynoxyphenyl)propan-1-ol is CC#CCCOc1ccccc1C(O)CC.
What is the InChIKey of 1-(2-pent-3-ynoxyphenyl)propan-1-ol?
The InChIKey is IEPQCNTUTMXPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-3-5-8-11-16-14-10-7-6-9-12(14)13(15)4-2/h6-7,9-10,13,15H,4,8,11H2,1-2H3.
What are the key properties of 1-(2-pent-3-ynoxyphenyl)propan-1-ol?
1-(2-pent-3-ynoxyphenyl)propan-1-ol has a molecular weight of 218.30 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pent-3-ynoxyphenyl)propan-1-ol is sourced from PubChem (CID 104808206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).