1-phenoxy-3-(2,4,6-trimethylphenyl)propan-2-ol

C18H22O2 — CID 62714978

IUPAC1-phenoxy-3-(2,4,6-trimethylphenyl)propan-2-ol
SMILESCc1cc(C)c(CC(O)COc2ccccc2)c(C)c1
InChIInChI=1S/C18H22O2/c1-13-9-14(2)18(15(3)10-13)11-16(19)12-20-17-7-5-4-6-8-17/h4-10,16,19H,11-12H2,1-3H3
InChIKeyMKGCGSAQPZUQEH-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.59
Rot. Bonds5

About 1-phenoxy-3-(2,4,6-trimethylphenyl)propan-2-ol

1-phenoxy-3-(2,4,6-trimethylphenyl)propan-2-ol (PubChem CID 62714978) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-phenoxy-3-(2,4,6-trimethylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-phenoxy-3-(2,4,6-trimethylphenyl)propan-2-ol
PubChem CID62714978
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name1-phenoxy-3-(2,4,6-trimethylphenyl)propan-2-ol
SMILESCc1cc(C)c(CC(O)COc2ccccc2)c(C)c1
InChIInChI=1S/C18H22O2/c1-13-9-14(2)18(15(3)10-13)11-16(19)12-20-17-7-5-4-6-8-17/h4-10,16,19H,11-12H2,1-3H3
InChIKeyMKGCGSAQPZUQEH-UHFFFAOYSA-N
XLogP3.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-phenoxy-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 62715678
1-aminooxy-3-phenoxypropan-2-ol
CID 13273091
3-phenoxypropane-1,2-diol
CID 10857
(2R)-1-fluoro-3-phenoxypropan-2-ol
CID 100942917
3-phenoxypropane-1,2-diol
CID 158587241
1,3-bis(2,4,6-trimethylphenoxy)propan-2-ol
CID 121215502
1-phenoxyheptan-2-ol
CID 12731443
4-(2-methylphenyl)-1-(2,4,6-trimethylphenyl)butan-2-ol
CID 105084187
1-(2-chloro-6-fluorophenyl)-3-phenoxypropan-2-ol
CID 55104112
actinium;3-phenoxypropane-1,2-diol
CID 22981458
1-phenoxytetradecan-2-ol
CID 11609222
1-(4-chlorophenoxy)-3-(3,5-dimethylphenyl)propan-2-ol
CID 105079601

Frequently Asked Questions

What is the IUPAC name of 1-phenoxy-3-(2,4,6-trimethylphenyl)propan-2-ol?
The IUPAC name of 1-phenoxy-3-(2,4,6-trimethylphenyl)propan-2-ol (CID 62714978) is 1-phenoxy-3-(2,4,6-trimethylphenyl)propan-2-ol.
What is the SMILES notation for 1-phenoxy-3-(2,4,6-trimethylphenyl)propan-2-ol?
The canonical SMILES for 1-phenoxy-3-(2,4,6-trimethylphenyl)propan-2-ol is Cc1cc(C)c(CC(O)COc2ccccc2)c(C)c1.
What is the InChIKey of 1-phenoxy-3-(2,4,6-trimethylphenyl)propan-2-ol?
The InChIKey is MKGCGSAQPZUQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-13-9-14(2)18(15(3)10-13)11-16(19)12-20-17-7-5-4-6-8-17/h4-10,16,19H,11-12H2,1-3H3.
What are the key properties of 1-phenoxy-3-(2,4,6-trimethylphenyl)propan-2-ol?
1-phenoxy-3-(2,4,6-trimethylphenyl)propan-2-ol has a molecular weight of 270.37 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxy-3-(2,4,6-trimethylphenyl)propan-2-ol is sourced from PubChem (CID 62714978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).