1-(3-phenylpropoxy)pentan-2-ol

C14H22O2 — CID 62042803

IUPAC1-(3-phenylpropoxy)pentan-2-ol
SMILESCCCC(O)COCCCc1ccccc1
InChIInChI=1S/C14H22O2/c1-2-7-14(15)12-16-11-6-10-13-8-4-3-5-9-13/h3-5,8-9,14-15H,2,6-7,10-12H2,1H3
InChIKeyULIBQAMGAORBIH-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.80
Rot. Bonds8

About 1-(3-phenylpropoxy)pentan-2-ol

1-(3-phenylpropoxy)pentan-2-ol (PubChem CID 62042803) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(3-phenylpropoxy)pentan-2-ol.

Molecular Properties

Compound Name1-(3-phenylpropoxy)pentan-2-ol
PubChem CID62042803
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-(3-phenylpropoxy)pentan-2-ol
SMILESCCCC(O)COCCCc1ccccc1
InChIInChI=1S/C14H22O2/c1-2-7-14(15)12-16-11-6-10-13-8-4-3-5-9-13/h3-5,8-9,14-15H,2,6-7,10-12H2,1H3
InChIKeyULIBQAMGAORBIH-UHFFFAOYSA-N
XLogP2.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-phenylpropoxy)propane-1,2-diol
CID 66597635
1-(3-phenylpropoxy)-3-sulfanylpropan-2-ol
CID 175040300
1-butoxy-3-(3-phenylpropylamino)propan-2-ol
CID 107262604
1-octadecoxy-4-phenylmethoxybutan-2-ol
CID 10906454
(2R)-1-(3-phenylpropoxy)propan-2-amine
CID 15118942
(2R,3R)-3-chloro-1,4-bis(3-phenylpropoxy)butan-2-ol
CID 134933929
3-decoxypropylbenzene
CID 150065328
6-propoxyhexylbenzene
CID 54255597
14-propoxytetradecylbenzene
CID 126562833
1-phenyl-3-(2-phenylethoxy)propan-2-ol
CID 150542863
5-phenyl-1-propan-2-yloxypentan-2-ol
CID 14984664
1-[3-(2-pyridin-2-ylethylsulfanyl)propoxy]pentan-2-ol
CID 175519031

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropoxy)pentan-2-ol?
The IUPAC name of 1-(3-phenylpropoxy)pentan-2-ol (CID 62042803) is 1-(3-phenylpropoxy)pentan-2-ol.
What is the SMILES notation for 1-(3-phenylpropoxy)pentan-2-ol?
The canonical SMILES for 1-(3-phenylpropoxy)pentan-2-ol is CCCC(O)COCCCc1ccccc1.
What is the InChIKey of 1-(3-phenylpropoxy)pentan-2-ol?
The InChIKey is ULIBQAMGAORBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-2-7-14(15)12-16-11-6-10-13-8-4-3-5-9-13/h3-5,8-9,14-15H,2,6-7,10-12H2,1H3.
What are the key properties of 1-(3-phenylpropoxy)pentan-2-ol?
1-(3-phenylpropoxy)pentan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropoxy)pentan-2-ol is sourced from PubChem (CID 62042803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).