1-(5-chloro-2-methoxyphenyl)-3-propylhexan-2-ol

C16H25ClO2 — CID 115788751

IUPAC1-(5-chloro-2-methoxyphenyl)-3-propylhexan-2-ol
SMILESCCCC(CCC)C(O)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C16H25ClO2/c1-4-6-12(7-5-2)15(18)11-13-10-14(17)8-9-16(13)19-3/h8-10,12,15,18H,4-7,11H2,1-3H3
InChIKeyXVVPMZBOQQPLHD-UHFFFAOYSA-N
MW284.83 g/mol
LogP4.47
Rot. Bonds8

About 1-(5-chloro-2-methoxyphenyl)-3-propylhexan-2-ol

1-(5-chloro-2-methoxyphenyl)-3-propylhexan-2-ol (PubChem CID 115788751) has the molecular formula C16H25ClO2 and a molecular weight of 284.83 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-propylhexan-2-ol.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-propylhexan-2-ol
PubChem CID115788751
Molecular FormulaC16H25ClO2
Molecular Weight284.83 g/mol
Exact Mass284.15
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-propylhexan-2-ol
SMILESCCCC(CCC)C(O)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C16H25ClO2/c1-4-6-12(7-5-2)15(18)11-13-10-14(17)8-9-16(13)19-3/h8-10,12,15,18H,4-7,11H2,1-3H3
InChIKeyXVVPMZBOQQPLHD-UHFFFAOYSA-N
XLogP4.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-ol
CID 63562020
1-(5-chloro-2-methoxyphenyl)-3,4,4-trimethylpentan-2-ol
CID 114270657
1-(5-chloro-2-methoxyphenyl)-3-ethylpentane-2,3-diol
CID 103449379
1-(5-chloro-2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 62606334
1-(5-chloro-2-methoxyphenyl)-3-propylsulfanylpropan-2-ol
CID 65129834
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 62608604
1-(2-methoxy-5-methylphenyl)hexane-2,3-diol
CID 103454840
4-chloro-2-(3-chlorohexyl)-1-methoxybenzene
CID 63460736
1-(5-chloro-2-methoxyphenyl)-5-methoxypentan-2-ol
CID 65091964
1-(5-chloro-2-methoxyphenyl)-4-methylsulfanylbutan-2-ol
CID 65148808
3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-2-ol
CID 63895461
1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-one
CID 63548794

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-propylhexan-2-ol?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-propylhexan-2-ol (CID 115788751) is 1-(5-chloro-2-methoxyphenyl)-3-propylhexan-2-ol.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-propylhexan-2-ol?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-propylhexan-2-ol is CCCC(CCC)C(O)Cc1cc(Cl)ccc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-propylhexan-2-ol?
The InChIKey is XVVPMZBOQQPLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClO2/c1-4-6-12(7-5-2)15(18)11-13-10-14(17)8-9-16(13)19-3/h8-10,12,15,18H,4-7,11H2,1-3H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-propylhexan-2-ol?
1-(5-chloro-2-methoxyphenyl)-3-propylhexan-2-ol has a molecular weight of 284.83 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-propylhexan-2-ol is sourced from PubChem (CID 115788751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).