3-(4-chlorophenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propan-1-ol

C19H23ClO2 — CID 10829409

IUPAC3-(4-chlorophenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propan-1-ol
SMILESCC(C)c1ccc(OC(C)(CO)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H23ClO2/c1-14(2)16-6-10-18(11-7-16)22-19(3,13-21)12-15-4-8-17(20)9-5-15/h4-11,14,21H,12-13H2,1-3H3
InChIKeyGJPUOIZXAUMPFB-UHFFFAOYSA-N
MW318.84 g/mol
LogP4.84
Rot. Bonds6

About 3-(4-chlorophenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propan-1-ol

3-(4-chlorophenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propan-1-ol (PubChem CID 10829409) has the molecular formula C19H23ClO2 and a molecular weight of 318.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propan-1-ol.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propan-1-ol
PubChem CID10829409
Molecular FormulaC19H23ClO2
Molecular Weight318.84 g/mol
Exact Mass318.14
IUPAC Name3-(4-chlorophenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propan-1-ol
SMILESCC(C)c1ccc(OC(C)(CO)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H23ClO2/c1-14(2)16-6-10-18(11-7-16)22-19(3,13-21)12-15-4-8-17(20)9-5-15/h4-11,14,21H,12-13H2,1-3H3
InChIKeyGJPUOIZXAUMPFB-UHFFFAOYSA-N
XLogP4.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.84
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propan-1-ol?
The IUPAC name of 3-(4-chlorophenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propan-1-ol (CID 10829409) is 3-(4-chlorophenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propan-1-ol.
What is the SMILES notation for 3-(4-chlorophenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propan-1-ol?
The canonical SMILES for 3-(4-chlorophenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propan-1-ol is CC(C)c1ccc(OC(C)(CO)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propan-1-ol?
The InChIKey is GJPUOIZXAUMPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClO2/c1-14(2)16-6-10-18(11-7-16)22-19(3,13-21)12-15-4-8-17(20)9-5-15/h4-11,14,21H,12-13H2,1-3H3.
What are the key properties of 3-(4-chlorophenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propan-1-ol?
3-(4-chlorophenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propan-1-ol has a molecular weight of 318.84 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propan-1-ol is sourced from PubChem (CID 10829409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).