2-(5-chloro-2-methoxyphenyl)-1-(4-methoxyoxan-4-yl)ethanol

C15H21ClO4 — CID 116754035

IUPAC2-(5-chloro-2-methoxyphenyl)-1-(4-methoxyoxan-4-yl)ethanol
SMILESCOc1ccc(Cl)cc1CC(O)C1(OC)CCOCC1
InChIInChI=1S/C15H21ClO4/c1-18-13-4-3-12(16)9-11(13)10-14(17)15(19-2)5-7-20-8-6-15/h3-4,9,14,17H,5-8,10H2,1-2H3
InChIKeyPVRSYOZUJMTKNU-UHFFFAOYSA-N
MW300.78 g/mol
LogP2.45
Rot. Bonds5

About 2-(5-chloro-2-methoxyphenyl)-1-(4-methoxyoxan-4-yl)ethanol

2-(5-chloro-2-methoxyphenyl)-1-(4-methoxyoxan-4-yl)ethanol (PubChem CID 116754035) has the molecular formula C15H21ClO4 and a molecular weight of 300.78 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-1-(4-methoxyoxan-4-yl)ethanol.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-1-(4-methoxyoxan-4-yl)ethanol
PubChem CID116754035
Molecular FormulaC15H21ClO4
Molecular Weight300.78 g/mol
Exact Mass300.11
IUPAC Name2-(5-chloro-2-methoxyphenyl)-1-(4-methoxyoxan-4-yl)ethanol
SMILESCOc1ccc(Cl)cc1CC(O)C1(OC)CCOCC1
InChIInChI=1S/C15H21ClO4/c1-18-13-4-3-12(16)9-11(13)10-14(17)15(19-2)5-7-20-8-6-15/h3-4,9,14,17H,5-8,10H2,1-2H3
InChIKeyPVRSYOZUJMTKNU-UHFFFAOYSA-N
XLogP2.45
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.78
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 62608604
1-(5-chloro-2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 62606334
1-(5-chloro-2-methoxyphenyl)-3-propylhexan-2-ol
CID 115788751
N-[2-(5-chloro-2-methoxyphenyl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 116714785
1-(5-chloro-2-methoxyphenyl)-4-methylsulfanylbutan-2-ol
CID 65148808
1-(5-chloro-2-methoxyphenyl)-5-methoxypentan-2-ol
CID 65091964
1-(5-chloro-2-methoxyphenyl)-3-ethylpentane-2,3-diol
CID 103449379
1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-ol
CID 63562020
1-(5-chloro-2-methoxyphenyl)-3-(thian-4-yl)propan-2-ol
CID 105089308
2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol
CID 116754296
4-chloro-2-(4-chloro-2-methylpentyl)-1-methoxybenzene
CID 64719241
4-chloro-2-[[1-(chloromethyl)cyclopropyl]methyl]-1-methoxybenzene
CID 66034885

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-1-(4-methoxyoxan-4-yl)ethanol?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-1-(4-methoxyoxan-4-yl)ethanol (CID 116754035) is 2-(5-chloro-2-methoxyphenyl)-1-(4-methoxyoxan-4-yl)ethanol.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-1-(4-methoxyoxan-4-yl)ethanol?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-1-(4-methoxyoxan-4-yl)ethanol is COc1ccc(Cl)cc1CC(O)C1(OC)CCOCC1.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-1-(4-methoxyoxan-4-yl)ethanol?
The InChIKey is PVRSYOZUJMTKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO4/c1-18-13-4-3-12(16)9-11(13)10-14(17)15(19-2)5-7-20-8-6-15/h3-4,9,14,17H,5-8,10H2,1-2H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-1-(4-methoxyoxan-4-yl)ethanol?
2-(5-chloro-2-methoxyphenyl)-1-(4-methoxyoxan-4-yl)ethanol has a molecular weight of 300.78 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-1-(4-methoxyoxan-4-yl)ethanol is sourced from PubChem (CID 116754035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).