1-(3,5-dimethoxyphenyl)-3-ethylpentane-1,2-diol

C15H24O4 — CID 103459693

IUPAC1-(3,5-dimethoxyphenyl)-3-ethylpentane-1,2-diol
SMILESCCC(CC)C(O)C(O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C15H24O4/c1-5-10(6-2)14(16)15(17)11-7-12(18-3)9-13(8-11)19-4/h7-10,14-17H,5-6H2,1-4H3
InChIKeyJERGPXMBLFQDRD-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.53
Rot. Bonds7

About 1-(3,5-dimethoxyphenyl)-3-ethylpentane-1,2-diol

1-(3,5-dimethoxyphenyl)-3-ethylpentane-1,2-diol (PubChem CID 103459693) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-3-ethylpentane-1,2-diol.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-3-ethylpentane-1,2-diol
PubChem CID103459693
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name1-(3,5-dimethoxyphenyl)-3-ethylpentane-1,2-diol
SMILESCCC(CC)C(O)C(O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C15H24O4/c1-5-10(6-2)14(16)15(17)11-7-12(18-3)9-13(8-11)19-4/h7-10,14-17H,5-6H2,1-4H3
InChIKeyJERGPXMBLFQDRD-UHFFFAOYSA-N
XLogP2.53
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3,5-dimethoxyphenyl)-3-ethylpentane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,5-dimethoxyphenyl)propan-1-ol
CID 42957590
1-(3,5-dimethoxyphenyl)-3,3-dimethylbutane-1,2-diol
CID 103457152
3-chloro-1-(3,5-dimethoxyphenyl)propane-1,2-diol
CID 171862328
1-(3-amino-5-methoxyphenyl)propane-1,2,3-triol
CID 170817963
4-bromo-1-(3,5-dimethoxyphenyl)butane-1,2-diol
CID 171892304
2-[(3,5-dimethoxyphenyl)-hydroxymethyl]pentanenitrile
CID 79413244
3-(3,5-dimethoxyphenyl)-2,3-dihydroxypropanenitrile
CID 171870525
1-(3,5-dimethoxyphenyl)-3-methylidenepentan-1-ol
CID 115817579
1-(3,5-dimethoxyphenyl)-2-methoxyethanol
CID 79567115
1-amino-4-ethyl-2-(4-methoxyphenyl)hexan-3-ol
CID 65185548
methyl 3-(3,5-dimethoxyphenyl)-2,3-dihydroxypropanoate
CID 171864351
1-(3,4-dichlorophenyl)-3-ethylpentane-1,2-diol
CID 103459672

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-3-ethylpentane-1,2-diol?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-3-ethylpentane-1,2-diol (CID 103459693) is 1-(3,5-dimethoxyphenyl)-3-ethylpentane-1,2-diol.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-3-ethylpentane-1,2-diol?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-3-ethylpentane-1,2-diol is CCC(CC)C(O)C(O)c1cc(OC)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-3-ethylpentane-1,2-diol?
The InChIKey is JERGPXMBLFQDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-5-10(6-2)14(16)15(17)11-7-12(18-3)9-13(8-11)19-4/h7-10,14-17H,5-6H2,1-4H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-3-ethylpentane-1,2-diol?
1-(3,5-dimethoxyphenyl)-3-ethylpentane-1,2-diol has a molecular weight of 268.35 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-3-ethylpentane-1,2-diol is sourced from PubChem (CID 103459693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).