(Z)-1-(2,6-dihydroxyphenyl)octadec-8-en-1-one

C24H38O3 — CID 10948772

IUPAC(Z)-1-(2,6-dihydroxyphenyl)octadec-8-en-1-one
SMILESCCCCCCCCC/C=C\CCCCCCC(=O)c1c(O)cccc1O
InChIInChI=1S/C24H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(25)24-22(26)19-17-20-23(24)27/h10-11,17,19-20,26-27H,2-9,12-16,18H2,1H3/b11-10-
InChIKeyWBXXVNCMCIJAIX-KHPPLWFESA-N
MW374.57 g/mol
LogP7.32
Rot. Bonds16

About (Z)-1-(2,6-dihydroxyphenyl)octadec-8-en-1-one

(Z)-1-(2,6-dihydroxyphenyl)octadec-8-en-1-one (PubChem CID 10948772) has the molecular formula C24H38O3 and a molecular weight of 374.57 g/mol. Its IUPAC name is (Z)-1-(2,6-dihydroxyphenyl)octadec-8-en-1-one.

Molecular Properties

Compound Name(Z)-1-(2,6-dihydroxyphenyl)octadec-8-en-1-one
PubChem CID10948772
Molecular FormulaC24H38O3
Molecular Weight374.57 g/mol
Exact Mass374.28
IUPAC Name(Z)-1-(2,6-dihydroxyphenyl)octadec-8-en-1-one
SMILESCCCCCCCCC/C=C\CCCCCCC(=O)c1c(O)cccc1O
InChIInChI=1S/C24H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(25)24-22(26)19-17-20-23(24)27/h10-11,17,19-20,26-27H,2-9,12-16,18H2,1H3/b11-10-
InChIKeyWBXXVNCMCIJAIX-KHPPLWFESA-N
XLogP7.32
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.57
LogP ≤ 57.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-(2-hydroxyphenyl)octadec-9-en-1-one
CID 174651259
(Z)-1-(4-hydroxyphenyl)octadec-9-en-1-one
CID 14228728
(2,6-dihydroxyphenyl) (Z)-octadec-9-enoate
CID 70294873
3-hydroxy-2-nonanoylbenzenesulfonic acid
CID 140985001
1-(2,6-dimethylphenyl)nonan-1-one
CID 114026790
1-(2,4,6-trihydroxyphenyl)hexadecan-1-one
CID 23426751
1-(2,4,6-trihydroxy-3-octadecanoylphenyl)octadecan-1-one
CID 44571474
1-thiophen-2-yloctadec-9-en-1-one
CID 66809162
(Z)-N-(2-hydroxyphenyl)octadec-9-enamide
CID 52916764
2-hydroxy-6-tridec-8-enylbenzoic acid
CID 73188302
1-(2,6-dichlorophenyl)heptan-1-one
CID 114966663
1-(2,6-difluorophenyl)octan-1-one
CID 79522078

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2,6-dihydroxyphenyl)octadec-8-en-1-one?
The IUPAC name of (Z)-1-(2,6-dihydroxyphenyl)octadec-8-en-1-one (CID 10948772) is (Z)-1-(2,6-dihydroxyphenyl)octadec-8-en-1-one.
What is the SMILES notation for (Z)-1-(2,6-dihydroxyphenyl)octadec-8-en-1-one?
The canonical SMILES for (Z)-1-(2,6-dihydroxyphenyl)octadec-8-en-1-one is CCCCCCCCC/C=C\CCCCCCC(=O)c1c(O)cccc1O.
What is the InChIKey of (Z)-1-(2,6-dihydroxyphenyl)octadec-8-en-1-one?
The InChIKey is WBXXVNCMCIJAIX-KHPPLWFESA-N. The full InChI is InChI=1S/C24H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(25)24-22(26)19-17-20-23(24)27/h10-11,17,19-20,26-27H,2-9,12-16,18H2,1H3/b11-10-.
What are the key properties of (Z)-1-(2,6-dihydroxyphenyl)octadec-8-en-1-one?
(Z)-1-(2,6-dihydroxyphenyl)octadec-8-en-1-one has a molecular weight of 374.57 g/mol, XLogP of 7.32, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2,6-dihydroxyphenyl)octadec-8-en-1-one is sourced from PubChem (CID 10948772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).