methyl 5-[3-(3-hydroxypropyl)phenoxy]pentanoate

C15H22O4 — CID 10400711

IUPACmethyl 5-[3-(3-hydroxypropyl)phenoxy]pentanoate
SMILESCOC(=O)CCCCOc1cccc(CCCO)c1
InChIInChI=1S/C15H22O4/c1-18-15(17)9-2-3-11-19-14-8-4-6-13(12-14)7-5-10-16/h4,6,8,12,16H,2-3,5,7,9-11H2,1H3
InChIKeyPAMBRLBEADSUEY-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.33
Rot. Bonds9

About methyl 5-[3-(3-hydroxypropyl)phenoxy]pentanoate

methyl 5-[3-(3-hydroxypropyl)phenoxy]pentanoate (PubChem CID 10400711) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl 5-[3-(3-hydroxypropyl)phenoxy]pentanoate.

Molecular Properties

Compound Namemethyl 5-[3-(3-hydroxypropyl)phenoxy]pentanoate
PubChem CID10400711
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Namemethyl 5-[3-(3-hydroxypropyl)phenoxy]pentanoate
SMILESCOC(=O)CCCCOc1cccc(CCCO)c1
InChIInChI=1S/C15H22O4/c1-18-15(17)9-2-3-11-19-14-8-4-6-13(12-14)7-5-10-16/h4,6,8,12,16H,2-3,5,7,9-11H2,1H3
InChIKeyPAMBRLBEADSUEY-UHFFFAOYSA-N
XLogP2.33
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 7-[3-(bromomethyl)phenoxy]heptanoate
CID 169093591
methyl 6-[3-[2-(diethylamino)-2-oxoethyl]phenoxy]hexanoate
CID 91465715
methyl 6-[2-[2-[6-[3-(aminomethyl)phenoxy]hexoxy]ethoxy]ethoxy]hexanoate
CID 168970083
methyl 2-[3-(2-hydroxyethoxy)phenyl]acetate
CID 134821202
methyl 3-(3-hexoxyphenyl)propanoate;3-phenylpropanoic acid
CID 175110743
5-(3-propylphenoxy)pentan-1-ol
CID 174619714
methyl 4-[3-[(2-methoxyethylamino)methyl]phenoxy]butanoate
CID 63056407
N-methyl-5-(3-propylphenoxy)pentanamide
CID 173258739
methyl 4-[3-[(cyclopropylamino)methyl]phenoxy]butanoate
CID 60881675
7-(3-propoxyphenyl)heptan-3-one
CID 157062342
methyl 6-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]hexanoate
CID 23568566
methyl 4-(3-hydroxyphenyl)butanoate
CID 54142007

Frequently Asked Questions

What is the IUPAC name of methyl 5-[3-(3-hydroxypropyl)phenoxy]pentanoate?
The IUPAC name of methyl 5-[3-(3-hydroxypropyl)phenoxy]pentanoate (CID 10400711) is methyl 5-[3-(3-hydroxypropyl)phenoxy]pentanoate.
What is the SMILES notation for methyl 5-[3-(3-hydroxypropyl)phenoxy]pentanoate?
The canonical SMILES for methyl 5-[3-(3-hydroxypropyl)phenoxy]pentanoate is COC(=O)CCCCOc1cccc(CCCO)c1.
What is the InChIKey of methyl 5-[3-(3-hydroxypropyl)phenoxy]pentanoate?
The InChIKey is PAMBRLBEADSUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-18-15(17)9-2-3-11-19-14-8-4-6-13(12-14)7-5-10-16/h4,6,8,12,16H,2-3,5,7,9-11H2,1H3.
What are the key properties of methyl 5-[3-(3-hydroxypropyl)phenoxy]pentanoate?
methyl 5-[3-(3-hydroxypropyl)phenoxy]pentanoate has a molecular weight of 266.34 g/mol, XLogP of 2.33, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[3-(3-hydroxypropyl)phenoxy]pentanoate is sourced from PubChem (CID 10400711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).