5-(3-propylphenoxy)pentan-1-ol

C14H22O2 — CID 174619714

IUPAC5-(3-propylphenoxy)pentan-1-ol
SMILESCCCc1cccc(OCCCCCO)c1
InChIInChI=1S/C14H22O2/c1-2-7-13-8-6-9-14(12-13)16-11-5-3-4-10-15/h6,8-9,12,15H,2-5,7,10-11H2,1H3
InChIKeyRAMUTVVFOOIFET-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.18
Rot. Bonds8

About 5-(3-propylphenoxy)pentan-1-ol

5-(3-propylphenoxy)pentan-1-ol (PubChem CID 174619714) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 5-(3-propylphenoxy)pentan-1-ol.

Molecular Properties

Compound Name5-(3-propylphenoxy)pentan-1-ol
PubChem CID174619714
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name5-(3-propylphenoxy)pentan-1-ol
SMILESCCCc1cccc(OCCCCCO)c1
InChIInChI=1S/C14H22O2/c1-2-7-13-8-6-9-14(12-13)16-11-5-3-4-10-15/h6,8-9,12,15H,2-5,7,10-11H2,1H3
InChIKeyRAMUTVVFOOIFET-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(3-propylphenoxy)pentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-octoxyphenyl)ethanol
CID 141227544
5-[3-(propylaminomethyl)phenoxy]pentan-1-ol
CID 62227082
5-[3-(aminomethyl)phenoxy]pentan-1-ol
CID 62228589
6-[3-(methylaminomethyl)phenoxy]hexan-1-ol
CID 107702363
N-methyl-5-(3-propylphenoxy)pentanamide
CID 173258739
N,N-dimethyl-5-(3-propylphenoxy)pentanamide
CID 173258398
bis(1-butyl-3-ethylbenzene);1-butyl-3-propoxybenzene;bis(1-butyl-3-propylbenzene);1,3-dibutylbenzene;1,3-dipropylbenzene;bis(1-ethyl-3-propoxybenzene);bis(1-propoxy-3-propylbenzene)
CID 161427356
ethane;N-methyl-2-(3-propylphenoxy)ethanamine
CID 142327682
methyl 5-[3-(3-hydroxypropyl)phenoxy]pentanoate
CID 10400711
1,3-dihexadecoxybenzene
CID 12686834
1-phenylmethoxy-3-propylbenzene
CID 58977798
N-[(3-butoxyphenyl)methyl]ethanamine
CID 43278316

Frequently Asked Questions

What is the IUPAC name of 5-(3-propylphenoxy)pentan-1-ol?
The IUPAC name of 5-(3-propylphenoxy)pentan-1-ol (CID 174619714) is 5-(3-propylphenoxy)pentan-1-ol.
What is the SMILES notation for 5-(3-propylphenoxy)pentan-1-ol?
The canonical SMILES for 5-(3-propylphenoxy)pentan-1-ol is CCCc1cccc(OCCCCCO)c1.
What is the InChIKey of 5-(3-propylphenoxy)pentan-1-ol?
The InChIKey is RAMUTVVFOOIFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-2-7-13-8-6-9-14(12-13)16-11-5-3-4-10-15/h6,8-9,12,15H,2-5,7,10-11H2,1H3.
What are the key properties of 5-(3-propylphenoxy)pentan-1-ol?
5-(3-propylphenoxy)pentan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-propylphenoxy)pentan-1-ol is sourced from PubChem (CID 174619714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).