4-(5-chloro-2,4-dimethoxyphenyl)butane-1,2-diol

C12H17ClO4 — CID 83943367

IUPAC4-(5-chloro-2,4-dimethoxyphenyl)butane-1,2-diol
SMILESCOc1cc(OC)c(CCC(O)CO)cc1Cl
InChIInChI=1S/C12H17ClO4/c1-16-11-6-12(17-2)10(13)5-8(11)3-4-9(15)7-14/h5-6,9,14-15H,3-4,7H2,1-2H3
InChIKeyFKDYVVHZPFGZTF-UHFFFAOYSA-N
MW260.72 g/mol
LogP1.64
Rot. Bonds6

About 4-(5-chloro-2,4-dimethoxyphenyl)butane-1,2-diol

4-(5-chloro-2,4-dimethoxyphenyl)butane-1,2-diol (PubChem CID 83943367) has the molecular formula C12H17ClO4 and a molecular weight of 260.72 g/mol. Its IUPAC name is 4-(5-chloro-2,4-dimethoxyphenyl)butane-1,2-diol.

Molecular Properties

Compound Name4-(5-chloro-2,4-dimethoxyphenyl)butane-1,2-diol
PubChem CID83943367
Molecular FormulaC12H17ClO4
Molecular Weight260.72 g/mol
Exact Mass260.08
IUPAC Name4-(5-chloro-2,4-dimethoxyphenyl)butane-1,2-diol
SMILESCOc1cc(OC)c(CCC(O)CO)cc1Cl
InChIInChI=1S/C12H17ClO4/c1-16-11-6-12(17-2)10(13)5-8(11)3-4-9(15)7-14/h5-6,9,14-15H,3-4,7H2,1-2H3
InChIKeyFKDYVVHZPFGZTF-UHFFFAOYSA-N
XLogP1.64
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-chloro-2,4-diethoxyphenyl)butane-1,2-diol
CID 83943487
4-amino-1-(5-chloro-2,4-dimethoxyphenyl)heptan-3-ol
CID 83943375
1-chloro-5-(chloromethyl)-2,4-dimethoxybenzene
CID 82645011
5-(5-chloro-2-methoxy-4-methylphenyl)pentane-2,3-diol
CID 83937566
1-(5-chloro-2-methoxy-4-methylphenyl)heptane-3,4-diol
CID 83937570
1-chloro-5-hex-3-ynyl-2,4-dimethoxybenzene
CID 83943340
2-(5-chloro-2-ethyl-4-methoxyphenyl)ethanol
CID 117306101
2-[2-(5-chloro-2,4-dimethoxyphenyl)ethyl]oxirane
CID 83943345
4-(5-chloro-2-methoxy-4-methylphenyl)butan-2-amine
CID 82473812
(5-chloro-2-ethyl-4-methoxyphenyl)methanol
CID 84669748
4-(3,5-dichloro-2-propoxyphenyl)butane-1,2-diol
CID 83941376
5-(5-chloro-2,4-diethoxyphenyl)pentane-2,3-diol
CID 83943497

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2,4-dimethoxyphenyl)butane-1,2-diol?
The IUPAC name of 4-(5-chloro-2,4-dimethoxyphenyl)butane-1,2-diol (CID 83943367) is 4-(5-chloro-2,4-dimethoxyphenyl)butane-1,2-diol.
What is the SMILES notation for 4-(5-chloro-2,4-dimethoxyphenyl)butane-1,2-diol?
The canonical SMILES for 4-(5-chloro-2,4-dimethoxyphenyl)butane-1,2-diol is COc1cc(OC)c(CCC(O)CO)cc1Cl.
What is the InChIKey of 4-(5-chloro-2,4-dimethoxyphenyl)butane-1,2-diol?
The InChIKey is FKDYVVHZPFGZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO4/c1-16-11-6-12(17-2)10(13)5-8(11)3-4-9(15)7-14/h5-6,9,14-15H,3-4,7H2,1-2H3.
What are the key properties of 4-(5-chloro-2,4-dimethoxyphenyl)butane-1,2-diol?
4-(5-chloro-2,4-dimethoxyphenyl)butane-1,2-diol has a molecular weight of 260.72 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2,4-dimethoxyphenyl)butane-1,2-diol is sourced from PubChem (CID 83943367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).