1,5-diphenoxypentan-3-ol

C17H20O3 — CID 5314309

IUPAC1,5-diphenoxypentan-3-ol
SMILESOC(CCOc1ccccc1)CCOc1ccccc1
InChIInChI=1S/C17H20O3/c18-15(11-13-19-16-7-3-1-4-8-16)12-14-20-17-9-5-2-6-10-17/h1-10,15,18H,11-14H2
InChIKeyKPICWQUQQVAWCC-UHFFFAOYSA-N
MW272.34 g/mol
LogP3.29
Rot. Bonds8

About 1,5-diphenoxypentan-3-ol

1,5-diphenoxypentan-3-ol (PubChem CID 5314309) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is 1,5-diphenoxypentan-3-ol.

Molecular Properties

Compound Name1,5-diphenoxypentan-3-ol
PubChem CID5314309
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name1,5-diphenoxypentan-3-ol
SMILESOC(CCOc1ccccc1)CCOc1ccccc1
InChIInChI=1S/C17H20O3/c18-15(11-13-19-16-7-3-1-4-8-16)12-14-20-17-9-5-2-6-10-17/h1-10,15,18H,11-14H2
InChIKeyKPICWQUQQVAWCC-UHFFFAOYSA-N
XLogP3.29
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,5-diphenoxypentan-3-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

(3R)-1-phenoxyhexan-3-ol
CID 102063151
1-phenoxyhept-6-yn-3-ol
CID 63657279
6-phenoxyhexane-1,3-diol
CID 71343394
1-(4-chlorophenyl)-4-phenoxybutan-2-ol
CID 60798401
1-(2-bromophenyl)-4-phenoxybutan-2-ol
CID 60798661
1-(3-chlorophenyl)-4-phenoxybutan-2-ol
CID 60798521
1-(3,4-difluorophenyl)-4-phenoxybutan-2-ol
CID 82920706
5-methyl-1-phenoxyhex-4-en-3-ol
CID 105110168
1-(2,4-dichlorophenyl)-4-phenoxybutan-2-ol
CID 62620850
3-phenoxy-1-pyridin-4-ylpropan-1-ol
CID 115003137
propan-2-yl 2-methyl-4-phenoxybutanoate
CID 174931468
1-cycloheptyl-3-phenoxypropan-1-ol
CID 82931193

Frequently Asked Questions

What is the IUPAC name of 1,5-diphenoxypentan-3-ol?
The IUPAC name of 1,5-diphenoxypentan-3-ol (CID 5314309) is 1,5-diphenoxypentan-3-ol.
What is the SMILES notation for 1,5-diphenoxypentan-3-ol?
The canonical SMILES for 1,5-diphenoxypentan-3-ol is OC(CCOc1ccccc1)CCOc1ccccc1.
What is the InChIKey of 1,5-diphenoxypentan-3-ol?
The InChIKey is KPICWQUQQVAWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3/c18-15(11-13-19-16-7-3-1-4-8-16)12-14-20-17-9-5-2-6-10-17/h1-10,15,18H,11-14H2.
What are the key properties of 1,5-diphenoxypentan-3-ol?
1,5-diphenoxypentan-3-ol has a molecular weight of 272.34 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diphenoxypentan-3-ol is sourced from PubChem (CID 5314309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).