5-(5-chloro-4-methyl-2-propoxyphenyl)hexane-2,3-diol

C16H25ClO3 — CID 83937822

IUPAC5-(5-chloro-4-methyl-2-propoxyphenyl)hexane-2,3-diol
SMILESCCCOc1cc(C)c(Cl)cc1C(C)CC(O)C(C)O
InChIInChI=1S/C16H25ClO3/c1-5-6-20-16-8-11(3)14(17)9-13(16)10(2)7-15(19)12(4)18/h8-10,12,15,18-19H,5-7H2,1-4H3
InChIKeyKASWKWIQKLKAHP-UHFFFAOYSA-N
MW300.83 g/mol
LogP3.67
Rot. Bonds7

About 5-(5-chloro-4-methyl-2-propoxyphenyl)hexane-2,3-diol

5-(5-chloro-4-methyl-2-propoxyphenyl)hexane-2,3-diol (PubChem CID 83937822) has the molecular formula C16H25ClO3 and a molecular weight of 300.83 g/mol. Its IUPAC name is 5-(5-chloro-4-methyl-2-propoxyphenyl)hexane-2,3-diol.

Molecular Properties

Compound Name5-(5-chloro-4-methyl-2-propoxyphenyl)hexane-2,3-diol
PubChem CID83937822
Molecular FormulaC16H25ClO3
Molecular Weight300.83 g/mol
Exact Mass300.15
IUPAC Name5-(5-chloro-4-methyl-2-propoxyphenyl)hexane-2,3-diol
SMILESCCCOc1cc(C)c(Cl)cc1C(C)CC(O)C(C)O
InChIInChI=1S/C16H25ClO3/c1-5-6-20-16-8-11(3)14(17)9-13(16)10(2)7-15(19)12(4)18/h8-10,12,15,18-19H,5-7H2,1-4H3
InChIKeyKASWKWIQKLKAHP-UHFFFAOYSA-N
XLogP3.67
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-chloro-2-propoxyphenyl)hexane-2,3-diol
CID 83933462
5-(5-chloro-2-ethoxy-4-methylphenyl)heptane-2,3-diol
CID 83937694
5-(5-chloro-4-methyl-2-propoxyphenyl)pentane-2,3-diol
CID 83937823
6-(5-chloro-4-methyl-2-propoxyphenyl)heptan-3-amine
CID 83937721
1-chloro-2-methyl-5-(3-methylhex-4-yn-2-yl)-4-propoxybenzene
CID 83937789
5-(5-chloro-4-methyl-2-propoxyphenyl)heptan-2-amine
CID 83937769
1-(5-chloro-2,4-dipropoxyphenyl)ethanol
CID 82268137
5-(2-chloro-4,5-dimethylphenyl)hexane-2,3-diol
CID 83931560
3-(5-chloro-4-methyl-2-propoxyphenyl)-3-(methylamino)propan-1-ol
CID 83937747
2-[2-(5-chloro-2-ethoxy-4-methylphenyl)propyl]propane-1,3-diamine
CID 83937594
1-(5-chloro-4-methyl-2-propoxyphenyl)heptane-3,4-diol
CID 83937827
5-amino-2-(2,5-dimethyl-4-propoxyphenyl)octan-4-ol
CID 83941032

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-4-methyl-2-propoxyphenyl)hexane-2,3-diol?
The IUPAC name of 5-(5-chloro-4-methyl-2-propoxyphenyl)hexane-2,3-diol (CID 83937822) is 5-(5-chloro-4-methyl-2-propoxyphenyl)hexane-2,3-diol.
What is the SMILES notation for 5-(5-chloro-4-methyl-2-propoxyphenyl)hexane-2,3-diol?
The canonical SMILES for 5-(5-chloro-4-methyl-2-propoxyphenyl)hexane-2,3-diol is CCCOc1cc(C)c(Cl)cc1C(C)CC(O)C(C)O.
What is the InChIKey of 5-(5-chloro-4-methyl-2-propoxyphenyl)hexane-2,3-diol?
The InChIKey is KASWKWIQKLKAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClO3/c1-5-6-20-16-8-11(3)14(17)9-13(16)10(2)7-15(19)12(4)18/h8-10,12,15,18-19H,5-7H2,1-4H3.
What are the key properties of 5-(5-chloro-4-methyl-2-propoxyphenyl)hexane-2,3-diol?
5-(5-chloro-4-methyl-2-propoxyphenyl)hexane-2,3-diol has a molecular weight of 300.83 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-4-methyl-2-propoxyphenyl)hexane-2,3-diol is sourced from PubChem (CID 83937822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).