2-(4-chlorophenyl)-1-(2-methyloxan-2-yl)ethanol

C14H19ClO2 — CID 80685016

IUPAC2-(4-chlorophenyl)-1-(2-methyloxan-2-yl)ethanol
SMILESCC1(C(O)Cc2ccc(Cl)cc2)CCCCO1
InChIInChI=1S/C14H19ClO2/c1-14(8-2-3-9-17-14)13(16)10-11-4-6-12(15)7-5-11/h4-7,13,16H,2-3,8-10H2,1H3
InChIKeyRJQVZXIOYLPINQ-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.20
Rot. Bonds3

About 2-(4-chlorophenyl)-1-(2-methyloxan-2-yl)ethanol

2-(4-chlorophenyl)-1-(2-methyloxan-2-yl)ethanol (PubChem CID 80685016) has the molecular formula C14H19ClO2 and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(2-methyloxan-2-yl)ethanol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(2-methyloxan-2-yl)ethanol
PubChem CID80685016
Molecular FormulaC14H19ClO2
Molecular Weight254.76 g/mol
Exact Mass254.11
IUPAC Name2-(4-chlorophenyl)-1-(2-methyloxan-2-yl)ethanol
SMILESCC1(C(O)Cc2ccc(Cl)cc2)CCCCO1
InChIInChI=1S/C14H19ClO2/c1-14(8-2-3-9-17-14)13(16)10-11-4-6-12(15)7-5-11/h4-7,13,16H,2-3,8-10H2,1H3
InChIKeyRJQVZXIOYLPINQ-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methyloxan-2-yl)-2-(2,4,6-trimethylphenyl)ethanol
CID 80684865
1-(2-methyloxan-2-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 80683608
2-(2-bromo-5-fluorophenyl)-1-(2-methyloxan-2-yl)ethanol
CID 80684366
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine
CID 103040345
(2S)-3-chloro-4-(4-chlorophenyl)butan-2-ol
CID 131029128
(2-methyloxan-2-yl)-(4-propan-2-ylphenyl)methanol
CID 80685466
2-cyclopropyl-1-(2-methyloxan-2-yl)ethanol
CID 80684699
N-methyl-1-(2-methyloxan-2-yl)-2-phenylethanamine
CID 80685072
[2-(4-chloro-2-fluorophenyl)-1-(2-methyloxan-2-yl)ethyl]hydrazine
CID 105256152
N-[2-(4-ethylphenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine
CID 80685283
N-ethyl-2-(4-fluorophenyl)-1-(2-methyloxan-2-yl)ethanamine
CID 80683647
2-(3,4-dichlorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol
CID 79066196

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(2-methyloxan-2-yl)ethanol?
The IUPAC name of 2-(4-chlorophenyl)-1-(2-methyloxan-2-yl)ethanol (CID 80685016) is 2-(4-chlorophenyl)-1-(2-methyloxan-2-yl)ethanol.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(2-methyloxan-2-yl)ethanol?
The canonical SMILES for 2-(4-chlorophenyl)-1-(2-methyloxan-2-yl)ethanol is CC1(C(O)Cc2ccc(Cl)cc2)CCCCO1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(2-methyloxan-2-yl)ethanol?
The InChIKey is RJQVZXIOYLPINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO2/c1-14(8-2-3-9-17-14)13(16)10-11-4-6-12(15)7-5-11/h4-7,13,16H,2-3,8-10H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-(2-methyloxan-2-yl)ethanol?
2-(4-chlorophenyl)-1-(2-methyloxan-2-yl)ethanol has a molecular weight of 254.76 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(2-methyloxan-2-yl)ethanol is sourced from PubChem (CID 80685016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).