2-(4-hydroxyphenyl)-4-(6-prop-2-enoyloxyhexoxy)benzoic acid

C22H24O6 — CID 67066904

IUPAC2-(4-hydroxyphenyl)-4-(6-prop-2-enoyloxyhexoxy)benzoic acid
SMILESC=CC(=O)OCCCCCCOc1ccc(C(=O)O)c(-c2ccc(O)cc2)c1
InChIInChI=1S/C22H24O6/c1-2-21(24)28-14-6-4-3-5-13-27-18-11-12-19(22(25)26)20(15-18)16-7-9-17(23)10-8-16/h2,7-12,15,23H,1,3-6,13-14H2,(H,25,26)
InChIKeyBFCINTUVZKMVEW-UHFFFAOYSA-N
MW384.43 g/mol
LogP4.43
Rot. Bonds11

About 2-(4-hydroxyphenyl)-4-(6-prop-2-enoyloxyhexoxy)benzoic acid

2-(4-hydroxyphenyl)-4-(6-prop-2-enoyloxyhexoxy)benzoic acid (PubChem CID 67066904) has the molecular formula C22H24O6 and a molecular weight of 384.43 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-4-(6-prop-2-enoyloxyhexoxy)benzoic acid.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-4-(6-prop-2-enoyloxyhexoxy)benzoic acid
PubChem CID67066904
Molecular FormulaC22H24O6
Molecular Weight384.43 g/mol
Exact Mass384.16
IUPAC Name2-(4-hydroxyphenyl)-4-(6-prop-2-enoyloxyhexoxy)benzoic acid
SMILESC=CC(=O)OCCCCCCOc1ccc(C(=O)O)c(-c2ccc(O)cc2)c1
InChIInChI=1S/C22H24O6/c1-2-21(24)28-14-6-4-3-5-13-27-18-11-12-19(22(25)26)20(15-18)16-7-9-17(23)10-8-16/h2,7-12,15,23H,1,3-6,13-14H2,(H,25,26)
InChIKeyBFCINTUVZKMVEW-UHFFFAOYSA-N
XLogP4.43
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-(5-prop-2-enoyloxypentoxy)-2-[4-[2-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyethyl]phenyl]benzoic acid
CID 175090806
4-(6-prop-2-enoylperoxyhexoxy)-2-[4-(6-prop-2-enoylperoxyhexoxy)phenyl]benzoic acid
CID 175449935
4-(4-hydroxyphenoxy)butyl prop-2-enoate
CID 20566713
3-[4-(4-hydroxyphenyl)phenoxy]propyl prop-2-enoate
CID 144554090
2-[4-[2-methoxycarbonyl-5-(4-prop-2-enoyloxybutoxycarbonyloxy)phenyl]phenyl]-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoic acid
CID 175736508
2-[4-[2-carboxylato-5-(6-prop-2-enoyloxyhexoxy)phenyl]-3-methylphenyl]-4-(6-prop-2-enoyloxyhexoxy)benzoate
CID 154048758
4-[8-(4-methylphenyl)sulfonyloxyoctoxy]-2-[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl]benzoic acid
CID 175126458
2-(4-butoxyphenyl)-4-hexoxybenzoic acid
CID 70214370
6-[4-[3-methyl-4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]phenyl]phenoxy]hexyl prop-2-enoate
CID 59459924
6-[4-[2,3-difluoro-4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]phenyl]phenoxy]hexyl prop-2-enoate
CID 20586877
4-(10-prop-2-enoyloxydecoxy)benzoic acid
CID 18942550
6-[4-[3-fluoro-4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]phenyl]phenoxy]hexyl prop-2-enoate
CID 59768932

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-4-(6-prop-2-enoyloxyhexoxy)benzoic acid?
The IUPAC name of 2-(4-hydroxyphenyl)-4-(6-prop-2-enoyloxyhexoxy)benzoic acid (CID 67066904) is 2-(4-hydroxyphenyl)-4-(6-prop-2-enoyloxyhexoxy)benzoic acid.
What is the SMILES notation for 2-(4-hydroxyphenyl)-4-(6-prop-2-enoyloxyhexoxy)benzoic acid?
The canonical SMILES for 2-(4-hydroxyphenyl)-4-(6-prop-2-enoyloxyhexoxy)benzoic acid is C=CC(=O)OCCCCCCOc1ccc(C(=O)O)c(-c2ccc(O)cc2)c1.
What is the InChIKey of 2-(4-hydroxyphenyl)-4-(6-prop-2-enoyloxyhexoxy)benzoic acid?
The InChIKey is BFCINTUVZKMVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O6/c1-2-21(24)28-14-6-4-3-5-13-27-18-11-12-19(22(25)26)20(15-18)16-7-9-17(23)10-8-16/h2,7-12,15,23H,1,3-6,13-14H2,(H,25,26).
What are the key properties of 2-(4-hydroxyphenyl)-4-(6-prop-2-enoyloxyhexoxy)benzoic acid?
2-(4-hydroxyphenyl)-4-(6-prop-2-enoyloxyhexoxy)benzoic acid has a molecular weight of 384.43 g/mol, XLogP of 4.43, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-4-(6-prop-2-enoyloxyhexoxy)benzoic acid is sourced from PubChem (CID 67066904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).