3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]pentan-3-ol

C16H26O3 — CID 69097533

IUPAC3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]pentan-3-ol
SMILESCCC[C@@H](O)c1cccc(OCC(O)(CC)CC)c1
InChIInChI=1S/C16H26O3/c1-4-8-15(17)13-9-7-10-14(11-13)19-12-16(18,5-2)6-3/h7,9-11,15,17-18H,4-6,8,12H2,1-3H3/t15-/m1/s1
InChIKeyNDGUXQOVJMPOQC-OAHLLOKOSA-N
MW266.38 g/mol
LogP3.45
Rot. Bonds8

About 3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]pentan-3-ol

3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]pentan-3-ol (PubChem CID 69097533) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]pentan-3-ol
PubChem CID69097533
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]pentan-3-ol
SMILESCCC[C@@H](O)c1cccc(OCC(O)(CC)CC)c1
InChIInChI=1S/C16H26O3/c1-4-8-15(17)13-9-7-10-14(11-13)19-12-16(18,5-2)6-3/h7,9-11,15,17-18H,4-6,8,12H2,1-3H3/t15-/m1/s1
InChIKeyNDGUXQOVJMPOQC-OAHLLOKOSA-N
XLogP3.45
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-(1-hydroxybutyl)phenoxy]methyl]heptan-4-ol
CID 69097318
3-[[3-(1-hydroxyethyl)phenoxy]methyl]pentan-3-ol
CID 114494412
N-[3-[3-(2-ethyl-2-hydroxybutoxy)phenyl]-3-hydroxypropyl]-N-methylacetamide
CID 143785924
1-(3-methoxyphenyl)butan-1-ol
CID 2793894
1-(3-ethoxyphenyl)pentan-1-ol
CID 22486926
3-amino-1-[3-(2-methoxy-2-propylpentoxy)phenyl]propan-1-ol
CID 170002029
1-(3-propoxyphenyl)pentan-1-ol
CID 65145757
1-[[3-[(2R)-butan-2-yl]oxyphenoxy]methyl]cycloheptan-1-ol;1-[[3-[(2R)-butan-2-yl]oxyphenoxy]methyl]cyclohexan-1-ol;1-[[3-[(2R)-butan-2-yl]oxyphenoxy]methyl]cyclopentan-1-ol;1-[[3-[(2R)-2-hydroxybutyl]phenoxy]methyl]cycloheptan-1-ol;1-[[3-[(2R)-2-hydroxybutyl]phenoxy]methyl]cyclohexan-1-ol;1-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]cyclopentan-1-ol;4-[[3-[(1S)-1-hydroxybutyl]phenoxy]methyl]heptan-4-ol;4-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]heptan-4-ol;3-[[3-[(1S)-1-hydroxybutyl]phenoxy]methyl]pentan-3-ol;3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]pentan-3-ol
CID 161266797
1-(3-butoxyphenyl)propan-1-ol
CID 83953800
N-[3-hydroxy-3-[3-(2-methyl-2-propylpentoxy)phenyl]propyl]-N-methylacetamide
CID 71018431
1-[3-[(2-methoxyphenyl)methoxy]phenyl]butan-1-ol
CID 69097467
3-amino-1-(3-ethoxyphenyl)propan-1-ol
CID 79135598

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]pentan-3-ol?
The IUPAC name of 3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]pentan-3-ol (CID 69097533) is 3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]pentan-3-ol?
The canonical SMILES for 3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]pentan-3-ol is CCC[C@@H](O)c1cccc(OCC(O)(CC)CC)c1.
What is the InChIKey of 3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]pentan-3-ol?
The InChIKey is NDGUXQOVJMPOQC-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H26O3/c1-4-8-15(17)13-9-7-10-14(11-13)19-12-16(18,5-2)6-3/h7,9-11,15,17-18H,4-6,8,12H2,1-3H3/t15-/m1/s1.
What are the key properties of 3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]pentan-3-ol?
3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]pentan-3-ol has a molecular weight of 266.38 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]pentan-3-ol is sourced from PubChem (CID 69097533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).