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

C14H19ClO2 — CID 107560134

IUPAC1-(3-chloro-4-methylphenyl)-2-(oxan-2-yl)ethanol
SMILESCc1ccc(C(O)CC2CCCCO2)cc1Cl
InChIInChI=1S/C14H19ClO2/c1-10-5-6-11(8-13(10)15)14(16)9-12-4-2-3-7-17-12/h5-6,8,12,14,16H,2-4,7,9H2,1H3
InChIKeyACJDILQKFSGZDF-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.64
Rot. Bonds3

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

1-(3-chloro-4-methylphenyl)-2-(oxan-2-yl)ethanol (PubChem CID 107560134) 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-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-2-(oxan-2-yl)ethanol
PubChem CID107560134
Molecular FormulaC14H19ClO2
Molecular Weight254.76 g/mol
Exact Mass254.11
IUPAC Name1-(3-chloro-4-methylphenyl)-2-(oxan-2-yl)ethanol
SMILESCc1ccc(C(O)CC2CCCCO2)cc1Cl
InChIInChI=1S/C14H19ClO2/c1-10-5-6-11(8-13(10)15)14(16)9-12-4-2-3-7-17-12/h5-6,8,12,14,16H,2-4,7,9H2,1H3
InChIKeyACJDILQKFSGZDF-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
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-4-yl)ethanol
CID 115789651
1-(4-methylphenyl)-2-(oxolan-2-yl)ethanol
CID 60797370
1-(2,5-dichlorophenyl)-2-(oxan-2-yl)ethanol
CID 113391319
1-(3,4-dimethoxyphenyl)-2-(oxolan-2-yl)ethanol
CID 62606269
1-(3,4-dimethylphenyl)-2-(oxan-2-yl)ethanamine
CID 113391540
1-(5-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanol
CID 62608272
(1S)-1-[3-chloro-4-(oxan-2-ylmethoxy)phenyl]ethanol
CID 113389965
1-(3-chloro-4-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65167485
2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 62791649
6-[1-hydroxy-2-(oxolan-2-yl)ethyl]-3-methyl-1,3-benzoxazol-2-one
CID 65157893
1-[4-(2-methylbutan-2-yl)phenyl]-2-(oxolan-2-yl)ethanol
CID 66259192

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-2-(oxan-2-yl)ethanol?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-2-(oxan-2-yl)ethanol (CID 107560134) is 1-(3-chloro-4-methylphenyl)-2-(oxan-2-yl)ethanol.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-2-(oxan-2-yl)ethanol?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-2-(oxan-2-yl)ethanol is Cc1ccc(C(O)CC2CCCCO2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-2-(oxan-2-yl)ethanol?
The InChIKey is ACJDILQKFSGZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO2/c1-10-5-6-11(8-13(10)15)14(16)9-12-4-2-3-7-17-12/h5-6,8,12,14,16H,2-4,7,9H2,1H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-2-(oxan-2-yl)ethanol?
1-(3-chloro-4-methylphenyl)-2-(oxan-2-yl)ethanol has a molecular weight of 254.76 g/mol, XLogP of 3.64, 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-2-yl)ethanol is sourced from PubChem (CID 107560134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).