4-(5-chloro-2,4-diethoxyphenyl)pentane-1,2-diol

C15H23ClO4 — CID 83943493

IUPAC4-(5-chloro-2,4-diethoxyphenyl)pentane-1,2-diol
SMILESCCOc1cc(OCC)c(C(C)CC(O)CO)cc1Cl
InChIInChI=1S/C15H23ClO4/c1-4-19-14-8-15(20-5-2)13(16)7-12(14)10(3)6-11(18)9-17/h7-8,10-11,17-18H,4-6,9H2,1-3H3
InChIKeyMENNVDABXPBDIF-UHFFFAOYSA-N
MW302.80 g/mol
LogP2.98
Rot. Bonds8

About 4-(5-chloro-2,4-diethoxyphenyl)pentane-1,2-diol

4-(5-chloro-2,4-diethoxyphenyl)pentane-1,2-diol (PubChem CID 83943493) has the molecular formula C15H23ClO4 and a molecular weight of 302.80 g/mol. Its IUPAC name is 4-(5-chloro-2,4-diethoxyphenyl)pentane-1,2-diol.

Molecular Properties

Compound Name4-(5-chloro-2,4-diethoxyphenyl)pentane-1,2-diol
PubChem CID83943493
Molecular FormulaC15H23ClO4
Molecular Weight302.80 g/mol
Exact Mass302.13
IUPAC Name4-(5-chloro-2,4-diethoxyphenyl)pentane-1,2-diol
SMILESCCOc1cc(OCC)c(C(C)CC(O)CO)cc1Cl
InChIInChI=1S/C15H23ClO4/c1-4-19-14-8-15(20-5-2)13(16)7-12(14)10(3)6-11(18)9-17/h7-8,10-11,17-18H,4-6,9H2,1-3H3
InChIKeyMENNVDABXPBDIF-UHFFFAOYSA-N
XLogP2.98
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-chloro-2-ethoxyphenyl)pentane-1,2-diol
CID 83933329
4-(5-chloro-2,4-diethoxyphenyl)butane-1,2-diol
CID 83943487
4-(4-ethoxy-2,3,6-trimethylphenyl)pentane-1,2-diol
CID 83939523
1-(5-chloro-2,4-dipropoxyphenyl)ethanol
CID 82268137
1-amino-4-(5-chloro-2,4-dimethoxyphenyl)pentan-2-ol
CID 83943372
1-(4-chloro-2,5-diethoxyphenyl)propan-1-ol
CID 82268035
4-[2-(5-chloro-2,4-diethoxyphenyl)propyl]-2H-triazole
CID 112719680
2-[2-(5-chloro-2,4-diethoxyphenyl)butyl]propane-1,3-diamine
CID 83943408
5-(5-chloro-2,4-diethoxyphenyl)pentane-2,3-diol
CID 83943497
2-[2-(5-chloro-2-ethoxy-4-methylphenyl)propyl]propane-1,3-diamine
CID 83937594
4-(3,4-dichlorophenyl)pentane-1,2-diol
CID 83931310
1-(3-chloro-4-ethoxyphenyl)ethanol
CID 82076442

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2,4-diethoxyphenyl)pentane-1,2-diol?
The IUPAC name of 4-(5-chloro-2,4-diethoxyphenyl)pentane-1,2-diol (CID 83943493) is 4-(5-chloro-2,4-diethoxyphenyl)pentane-1,2-diol.
What is the SMILES notation for 4-(5-chloro-2,4-diethoxyphenyl)pentane-1,2-diol?
The canonical SMILES for 4-(5-chloro-2,4-diethoxyphenyl)pentane-1,2-diol is CCOc1cc(OCC)c(C(C)CC(O)CO)cc1Cl.
What is the InChIKey of 4-(5-chloro-2,4-diethoxyphenyl)pentane-1,2-diol?
The InChIKey is MENNVDABXPBDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClO4/c1-4-19-14-8-15(20-5-2)13(16)7-12(14)10(3)6-11(18)9-17/h7-8,10-11,17-18H,4-6,9H2,1-3H3.
What are the key properties of 4-(5-chloro-2,4-diethoxyphenyl)pentane-1,2-diol?
4-(5-chloro-2,4-diethoxyphenyl)pentane-1,2-diol has a molecular weight of 302.80 g/mol, XLogP of 2.98, 8 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-diethoxyphenyl)pentane-1,2-diol is sourced from PubChem (CID 83943493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).