1-(3-chlorophenoxy)-3-(4-propan-2-ylphenyl)propan-2-ol

C18H21ClO2 — CID 105088994

IUPAC1-(3-chlorophenoxy)-3-(4-propan-2-ylphenyl)propan-2-ol
SMILESCC(C)c1ccc(CC(O)COc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H21ClO2/c1-13(2)15-8-6-14(7-9-15)10-17(20)12-21-18-5-3-4-16(19)11-18/h3-9,11,13,17,20H,10,12H2,1-2H3
InChIKeyXPNZMMPNUUNRKA-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.45
Rot. Bonds6

About 1-(3-chlorophenoxy)-3-(4-propan-2-ylphenyl)propan-2-ol

1-(3-chlorophenoxy)-3-(4-propan-2-ylphenyl)propan-2-ol (PubChem CID 105088994) has the molecular formula C18H21ClO2 and a molecular weight of 304.82 g/mol. Its IUPAC name is 1-(3-chlorophenoxy)-3-(4-propan-2-ylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(3-chlorophenoxy)-3-(4-propan-2-ylphenyl)propan-2-ol
PubChem CID105088994
Molecular FormulaC18H21ClO2
Molecular Weight304.82 g/mol
Exact Mass304.12
IUPAC Name1-(3-chlorophenoxy)-3-(4-propan-2-ylphenyl)propan-2-ol
SMILESCC(C)c1ccc(CC(O)COc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H21ClO2/c1-13(2)15-8-6-14(7-9-15)10-17(20)12-21-18-5-3-4-16(19)11-18/h3-9,11,13,17,20H,10,12H2,1-2H3
InChIKeyXPNZMMPNUUNRKA-UHFFFAOYSA-N
XLogP4.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenoxy)-3-(3,4-dimethylphenyl)propan-2-ol
CID 105081897
1-(3-chlorophenoxy)-3-(1-methylpyrazol-4-yl)propan-2-ol
CID 105082685
1-(3-chlorophenoxy)pentan-2-ol
CID 105083098
1-(3-chlorophenoxy)-3-ethoxypropan-2-ol
CID 112555016
1-(3-chlorophenoxy)-4-methoxybutan-2-ol
CID 117236754
2-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanol
CID 105095527
1-(3-chlorophenoxy)-3-(1-phenylethylamino)propan-2-ol
CID 60632879
2-(3-chlorophenoxy)-1-(3-chlorophenyl)ethanol
CID 115766354
3-(3-chlorophenoxy)-2-methylpropan-1-ol
CID 82076436
1-(2-chloro-3-fluorophenyl)-3-(3-chlorophenoxy)propan-2-ol
CID 105124071
1-(3-chlorophenoxy)-4,4,4-trifluorobutan-2-ol
CID 167854837
4-[2-(3-chlorophenoxy)-1-hydroxyethyl]phenol
CID 117244629

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenoxy)-3-(4-propan-2-ylphenyl)propan-2-ol?
The IUPAC name of 1-(3-chlorophenoxy)-3-(4-propan-2-ylphenyl)propan-2-ol (CID 105088994) is 1-(3-chlorophenoxy)-3-(4-propan-2-ylphenyl)propan-2-ol.
What is the SMILES notation for 1-(3-chlorophenoxy)-3-(4-propan-2-ylphenyl)propan-2-ol?
The canonical SMILES for 1-(3-chlorophenoxy)-3-(4-propan-2-ylphenyl)propan-2-ol is CC(C)c1ccc(CC(O)COc2cccc(Cl)c2)cc1.
What is the InChIKey of 1-(3-chlorophenoxy)-3-(4-propan-2-ylphenyl)propan-2-ol?
The InChIKey is XPNZMMPNUUNRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClO2/c1-13(2)15-8-6-14(7-9-15)10-17(20)12-21-18-5-3-4-16(19)11-18/h3-9,11,13,17,20H,10,12H2,1-2H3.
What are the key properties of 1-(3-chlorophenoxy)-3-(4-propan-2-ylphenyl)propan-2-ol?
1-(3-chlorophenoxy)-3-(4-propan-2-ylphenyl)propan-2-ol has a molecular weight of 304.82 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenoxy)-3-(4-propan-2-ylphenyl)propan-2-ol is sourced from PubChem (CID 105088994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).