10-(3,4-dimethoxyphenyl)-9-hydroxydecan-5-one

C18H28O4 — CID 101095743

IUPAC10-(3,4-dimethoxyphenyl)-9-hydroxydecan-5-one
SMILESCCCCC(=O)CCCC(O)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C18H28O4/c1-4-5-7-15(19)8-6-9-16(20)12-14-10-11-17(21-2)18(13-14)22-3/h10-11,13,16,20H,4-9,12H2,1-3H3
InChIKeyVUBSKRVZFXPQJQ-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.54
Rot. Bonds11

About 10-(3,4-dimethoxyphenyl)-9-hydroxydecan-5-one

10-(3,4-dimethoxyphenyl)-9-hydroxydecan-5-one (PubChem CID 101095743) has the molecular formula C18H28O4 and a molecular weight of 308.42 g/mol. Its IUPAC name is 10-(3,4-dimethoxyphenyl)-9-hydroxydecan-5-one.

Molecular Properties

Compound Name10-(3,4-dimethoxyphenyl)-9-hydroxydecan-5-one
PubChem CID101095743
Molecular FormulaC18H28O4
Molecular Weight308.42 g/mol
Exact Mass308.20
IUPAC Name10-(3,4-dimethoxyphenyl)-9-hydroxydecan-5-one
SMILESCCCCC(=O)CCCC(O)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C18H28O4/c1-4-5-7-15(19)8-6-9-16(20)12-14-10-11-17(21-2)18(13-14)22-3/h10-11,13,16,20H,4-9,12H2,1-3H3
InChIKeyVUBSKRVZFXPQJQ-UHFFFAOYSA-N
XLogP3.54
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-hydroxy-10-(4-methoxyphenyl)decan-5-one
CID 101095744
1-(3-bromo-4-methoxyphenyl)undecan-2-ol
CID 115779355
1-(3,4-dimethoxyphenyl)heptan-2-one
CID 61056663
trimagnesium;2-(3,4-dimethoxyphenyl)acetaldehyde;1-(3,4-dimethoxyphenyl)dodecan-2-ol;10-nonylnonadecane;tribromide
CID 162153493
(5S)-1-(3,4-dimethoxyphenyl)-5-hydroxy-12-(2-pentylphenyl)dodecan-3-one
CID 162887606
4-(3,4-dimethoxyphenyl)-3-hydroxybutan-2-one
CID 11276143
(2S)-2-bromo-3-(3,4-dimethoxyphenyl)propanoic acid
CID 11077082
(3R)-4-(3,4-dimethoxyphenyl)-3-hydroxybutan-2-one
CID 130440860
(2R)-3-(3,4-dimethoxyphenyl)-2-hydroxypropanoic acid
CID 14163336
tributyl-[(3,4-dimethoxyphenyl)methyl]phosphanium chloride
CID 71414193
3-[(3,4-dimethoxyphenyl)methyl]pentane-2,4-dione
CID 137479905
(2S,3R)-2,3-bis[(3,4-dimethoxyphenyl)methyl]butanedioic acid
CID 58000802

Frequently Asked Questions

What is the IUPAC name of 10-(3,4-dimethoxyphenyl)-9-hydroxydecan-5-one?
The IUPAC name of 10-(3,4-dimethoxyphenyl)-9-hydroxydecan-5-one (CID 101095743) is 10-(3,4-dimethoxyphenyl)-9-hydroxydecan-5-one.
What is the SMILES notation for 10-(3,4-dimethoxyphenyl)-9-hydroxydecan-5-one?
The canonical SMILES for 10-(3,4-dimethoxyphenyl)-9-hydroxydecan-5-one is CCCCC(=O)CCCC(O)Cc1ccc(OC)c(OC)c1.
What is the InChIKey of 10-(3,4-dimethoxyphenyl)-9-hydroxydecan-5-one?
The InChIKey is VUBSKRVZFXPQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O4/c1-4-5-7-15(19)8-6-9-16(20)12-14-10-11-17(21-2)18(13-14)22-3/h10-11,13,16,20H,4-9,12H2,1-3H3.
What are the key properties of 10-(3,4-dimethoxyphenyl)-9-hydroxydecan-5-one?
10-(3,4-dimethoxyphenyl)-9-hydroxydecan-5-one has a molecular weight of 308.42 g/mol, XLogP of 3.54, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3,4-dimethoxyphenyl)-9-hydroxydecan-5-one is sourced from PubChem (CID 101095743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).