2,5-dihydroxy-2-(3-methoxyphenyl)pentadecanoic acid

C22H36O5 — CID 22910800

IUPAC2,5-dihydroxy-2-(3-methoxyphenyl)pentadecanoic acid
SMILESCCCCCCCCCCC(O)CCC(O)(C(=O)O)c1cccc(OC)c1
InChIInChI=1S/C22H36O5/c1-3-4-5-6-7-8-9-10-13-19(23)15-16-22(26,21(24)25)18-12-11-14-20(17-18)27-2/h11-12,14,17,19,23,26H,3-10,13,15-16H2,1-2H3,(H,24,25)
InChIKeyICRZSPFUXOBWQY-UHFFFAOYSA-N
MW380.53 g/mol
LogP4.64
Rot. Bonds15

About 2,5-dihydroxy-2-(3-methoxyphenyl)pentadecanoic acid

2,5-dihydroxy-2-(3-methoxyphenyl)pentadecanoic acid (PubChem CID 22910800) has the molecular formula C22H36O5 and a molecular weight of 380.53 g/mol. Its IUPAC name is 2,5-dihydroxy-2-(3-methoxyphenyl)pentadecanoic acid.

Molecular Properties

Compound Name2,5-dihydroxy-2-(3-methoxyphenyl)pentadecanoic acid
PubChem CID22910800
Molecular FormulaC22H36O5
Molecular Weight380.53 g/mol
Exact Mass380.26
IUPAC Name2,5-dihydroxy-2-(3-methoxyphenyl)pentadecanoic acid
SMILESCCCCCCCCCCC(O)CCC(O)(C(=O)O)c1cccc(OC)c1
InChIInChI=1S/C22H36O5/c1-3-4-5-6-7-8-9-10-13-19(23)15-16-22(26,21(24)25)18-12-11-14-20(17-18)27-2/h11-12,14,17,19,23,26H,3-10,13,15-16H2,1-2H3,(H,24,25)
InChIKeyICRZSPFUXOBWQY-UHFFFAOYSA-N
XLogP4.64
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxyphenyl)propane-1,2,3-tricarboxylic acid
CID 170564927
1-[bis(4-methoxyphenyl)-phenylmethoxy]nonan-3-ol
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2-ethyl-2-(3-methoxyphenyl)propanedioic acid
CID 165450739
2-[(3-methoxyphenyl)methoxy]dodecanoic acid
CID 67004671
tert-butyl 2-hydroxy-2-(3-methoxyphenyl)-3-oxotetradecanoate
CID 122212196
1-(3-methoxyphenyl)tetradecan-1-one
CID 146007363
2-(3-methoxyphenyl)-2-methylpropanedioic acid
CID 83536911
3-methoxy-N-tridecylbenzamide
CID 139819898
5-amino-2-(3-methoxyphenyl)-2-methylpentanoic acid
CID 117049749
(3R)-1-trityloxytetradecan-3-ol
CID 15104977
2-(3-methoxyphenyl)-3-methylhexan-2-ol
CID 107892511
1-trityloxytetradecan-3-ol
CID 71342983

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-2-(3-methoxyphenyl)pentadecanoic acid?
The IUPAC name of 2,5-dihydroxy-2-(3-methoxyphenyl)pentadecanoic acid (CID 22910800) is 2,5-dihydroxy-2-(3-methoxyphenyl)pentadecanoic acid.
What is the SMILES notation for 2,5-dihydroxy-2-(3-methoxyphenyl)pentadecanoic acid?
The canonical SMILES for 2,5-dihydroxy-2-(3-methoxyphenyl)pentadecanoic acid is CCCCCCCCCCC(O)CCC(O)(C(=O)O)c1cccc(OC)c1.
What is the InChIKey of 2,5-dihydroxy-2-(3-methoxyphenyl)pentadecanoic acid?
The InChIKey is ICRZSPFUXOBWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36O5/c1-3-4-5-6-7-8-9-10-13-19(23)15-16-22(26,21(24)25)18-12-11-14-20(17-18)27-2/h11-12,14,17,19,23,26H,3-10,13,15-16H2,1-2H3,(H,24,25).
What are the key properties of 2,5-dihydroxy-2-(3-methoxyphenyl)pentadecanoic acid?
2,5-dihydroxy-2-(3-methoxyphenyl)pentadecanoic acid has a molecular weight of 380.53 g/mol, XLogP of 4.64, 15 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxy-2-(3-methoxyphenyl)pentadecanoic acid is sourced from PubChem (CID 22910800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).