1-(3-chloro-4-methylphenyl)-2-(oxan-4-yl)ethanol

C14H19ClO2 — CID 115789651

IUPAC1-(3-chloro-4-methylphenyl)-2-(oxan-4-yl)ethanol
SMILESCc1ccc(C(O)CC2CCOCC2)cc1Cl
InChIInChI=1S/C14H19ClO2/c1-10-2-3-12(9-13(10)15)14(16)8-11-4-6-17-7-5-11/h2-3,9,11,14,16H,4-8H2,1H3
InChIKeyFLMKMWHMCOYHNG-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.50
Rot. Bonds3

About 1-(3-chloro-4-methylphenyl)-2-(oxan-4-yl)ethanol

1-(3-chloro-4-methylphenyl)-2-(oxan-4-yl)ethanol (PubChem CID 115789651) has the molecular formula C14H19ClO2 and a molecular weight of 254.76 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-2-(oxan-4-yl)ethanol.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-2-(oxan-4-yl)ethanol
PubChem CID115789651
Molecular FormulaC14H19ClO2
Molecular Weight254.76 g/mol
Exact Mass254.11
IUPAC Name1-(3-chloro-4-methylphenyl)-2-(oxan-4-yl)ethanol
SMILESCc1ccc(C(O)CC2CCOCC2)cc1Cl
InChIInChI=1S/C14H19ClO2/c1-10-2-3-12(9-13(10)15)14(16)8-11-4-6-17-7-5-11/h2-3,9,11,14,16H,4-8H2,1H3
InChIKeyFLMKMWHMCOYHNG-UHFFFAOYSA-N
XLogP3.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-methylphenyl)-2-cycloheptylethanol
CID 107562179
1-(3-chloro-4-methylphenyl)-2-(oxan-2-yl)ethanol
CID 107560134
1-(6-methyl-3-pyridinyl)-2-(oxan-4-yl)ethanol
CID 104823049
1-[4-(dimethylamino)phenyl]-2-(oxan-4-yl)ethanol
CID 65150488
1-[3-(difluoromethyl)phenyl]-2-(oxan-4-yl)ethanol
CID 115527745
1-(4-fluoro-3-methoxyphenyl)-2-(oxan-4-yl)ethanol
CID 115789579
2-cyclohexyl-1-(3,4-dichlorophenyl)ethanol
CID 63426977
[1-(3-chloro-4-methylphenyl)-2-cyclobutylethyl]hydrazine
CID 105310083
1-(3,4-dimethylphenyl)-3-(oxan-4-yl)propan-2-ol
CID 62899788
1-(3-chloro-4-iodophenyl)-2-cyclobutylethanol
CID 103216838
1-naphthalen-2-yl-2-(oxolan-3-yl)ethanol
CID 113362057
1-(3-fluoro-4-methylphenyl)-2-(oxan-4-yl)ethanamine
CID 62601835

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-2-(oxan-4-yl)ethanol?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-2-(oxan-4-yl)ethanol (CID 115789651) is 1-(3-chloro-4-methylphenyl)-2-(oxan-4-yl)ethanol.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-2-(oxan-4-yl)ethanol?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-2-(oxan-4-yl)ethanol is Cc1ccc(C(O)CC2CCOCC2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-2-(oxan-4-yl)ethanol?
The InChIKey is FLMKMWHMCOYHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO2/c1-10-2-3-12(9-13(10)15)14(16)8-11-4-6-17-7-5-11/h2-3,9,11,14,16H,4-8H2,1H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-2-(oxan-4-yl)ethanol?
1-(3-chloro-4-methylphenyl)-2-(oxan-4-yl)ethanol has a molecular weight of 254.76 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-2-(oxan-4-yl)ethanol is sourced from PubChem (CID 115789651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).