(E)-19-(2-hydroxyphenyl)nonadec-18-enoic acid

C25H40O3 — CID 58721548

IUPAC(E)-19-(2-hydroxyphenyl)nonadec-18-enoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCC/C=C/c1ccccc1O
InChIInChI=1S/C25H40O3/c26-24-21-18-17-20-23(24)19-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-22-25(27)28/h15,17-21,26H,1-14,16,22H2,(H,27,28)/b19-15+
InChIKeyNZJTUWRLGVNEPO-XDJHFCHBSA-N
MW388.59 g/mol
LogP7.73
Rot. Bonds18

About (E)-19-(2-hydroxyphenyl)nonadec-18-enoic acid

(E)-19-(2-hydroxyphenyl)nonadec-18-enoic acid (PubChem CID 58721548) has the molecular formula C25H40O3 and a molecular weight of 388.59 g/mol. Its IUPAC name is (E)-19-(2-hydroxyphenyl)nonadec-18-enoic acid.

Molecular Properties

Compound Name(E)-19-(2-hydroxyphenyl)nonadec-18-enoic acid
PubChem CID58721548
Molecular FormulaC25H40O3
Molecular Weight388.59 g/mol
Exact Mass388.30
IUPAC Name(E)-19-(2-hydroxyphenyl)nonadec-18-enoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCC/C=C/c1ccccc1O
InChIInChI=1S/C25H40O3/c26-24-21-18-17-20-23(24)19-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-22-25(27)28/h15,17-21,26H,1-14,16,22H2,(H,27,28)/b19-15+
InChIKeyNZJTUWRLGVNEPO-XDJHFCHBSA-N
XLogP7.73
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.59
LogP ≤ 57.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-7-(2-methylphenyl)hept-6-enoic acid
CID 175666421
(Z)-27-(4-hydroxyphenyl)heptacos-26-enoic acid
CID 177424938
(Z)-6-[2-[(Z)-1-hydroxynon-3-enyl]phenyl]hex-5-enoic acid
CID 67708708
3-[2-[(Z)-tridec-1-enyl]phenyl]propanoic acid
CID 70431836
(E)-6-(2-nonylphenyl)hex-5-enoic acid
CID 21273106
(9Z,30Z)-nonatriaconta-9,30-dienedioic acid
CID 151731001
(9Z,33Z)-dotetraconta-9,33-dienedioic acid
CID 87211353
nonatriaconta-9,30-dienedioic acid
CID 151730999
tetradec-6-enedioic acid
CID 151545129
benzoic acid;tris(octadec-9-enoic acid)
CID 161443012
9-(furan-2-yl)non-8-enoic acid
CID 54107974
11-(4-pentylnaphthalen-1-yl)undec-10-enoic acid
CID 175923096

Frequently Asked Questions

What is the IUPAC name of (E)-19-(2-hydroxyphenyl)nonadec-18-enoic acid?
The IUPAC name of (E)-19-(2-hydroxyphenyl)nonadec-18-enoic acid (CID 58721548) is (E)-19-(2-hydroxyphenyl)nonadec-18-enoic acid.
What is the SMILES notation for (E)-19-(2-hydroxyphenyl)nonadec-18-enoic acid?
The canonical SMILES for (E)-19-(2-hydroxyphenyl)nonadec-18-enoic acid is O=C(O)CCCCCCCCCCCCCCCC/C=C/c1ccccc1O.
What is the InChIKey of (E)-19-(2-hydroxyphenyl)nonadec-18-enoic acid?
The InChIKey is NZJTUWRLGVNEPO-XDJHFCHBSA-N. The full InChI is InChI=1S/C25H40O3/c26-24-21-18-17-20-23(24)19-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-22-25(27)28/h15,17-21,26H,1-14,16,22H2,(H,27,28)/b19-15+.
What are the key properties of (E)-19-(2-hydroxyphenyl)nonadec-18-enoic acid?
(E)-19-(2-hydroxyphenyl)nonadec-18-enoic acid has a molecular weight of 388.59 g/mol, XLogP of 7.73, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-19-(2-hydroxyphenyl)nonadec-18-enoic acid is sourced from PubChem (CID 58721548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).