(1R)-1-[2-(2,3,5-trimethylphenoxy)phenyl]propan-1-ol

C18H22O2 — CID 103960528

IUPAC(1R)-1-[2-(2,3,5-trimethylphenoxy)phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1Oc1cc(C)cc(C)c1C
InChIInChI=1S/C18H22O2/c1-5-16(19)15-8-6-7-9-17(15)20-18-11-12(2)10-13(3)14(18)4/h6-11,16,19H,5H2,1-4H3/t16-/m1/s1
InChIKeyQEDKBWHUKIENIL-MRXNPFEDSA-N
MW270.37 g/mol
LogP4.85
Rot. Bonds4

About (1R)-1-[2-(2,3,5-trimethylphenoxy)phenyl]propan-1-ol

(1R)-1-[2-(2,3,5-trimethylphenoxy)phenyl]propan-1-ol (PubChem CID 103960528) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is (1R)-1-[2-(2,3,5-trimethylphenoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[2-(2,3,5-trimethylphenoxy)phenyl]propan-1-ol
PubChem CID103960528
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name(1R)-1-[2-(2,3,5-trimethylphenoxy)phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1Oc1cc(C)cc(C)c1C
InChIInChI=1S/C18H22O2/c1-5-16(19)15-8-6-7-9-17(15)20-18-11-12(2)10-13(3)14(18)4/h6-11,16,19H,5H2,1-4H3/t16-/m1/s1
InChIKeyQEDKBWHUKIENIL-MRXNPFEDSA-N
XLogP4.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-(2,3,5-trimethylphenoxy)phenyl]propan-1-amine
CID 103959280
(1R)-1-[2-(2-bromo-4-methylphenoxy)phenyl]propan-1-ol
CID 103960518
1-[2-(5-chloro-2-methylphenoxy)phenyl]propan-1-ol
CID 112679140
(1R)-1-[2-(2-methoxyphenoxy)phenyl]propan-1-ol
CID 103960501
(1R)-1-[2-(2-bromophenoxy)phenyl]propan-1-ol
CID 113359072
(1S)-1-[2-(2,5-dibromo-4-methoxyphenoxy)phenyl]propan-1-ol
CID 103960654
(1R)-1-[2-(4-chloro-3-methylphenoxy)phenyl]propan-1-ol
CID 103960425
1-[2-(4-bromo-2-chlorophenoxy)phenyl]propan-1-ol
CID 112679109
1-[2-(2-propoxyphenoxy)phenyl]propan-1-ol
CID 115996062
(1R)-1-[2-(2-methyl-5-nitrophenoxy)phenyl]propan-1-ol
CID 103960584
(1R)-1-[2-(4-methyl-2-nitrophenoxy)phenyl]propan-1-ol
CID 103960594
(1S)-1-[2-(2-methyl-5-nitrophenoxy)phenyl]propan-1-ol
CID 103960585

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(2,3,5-trimethylphenoxy)phenyl]propan-1-ol?
The IUPAC name of (1R)-1-[2-(2,3,5-trimethylphenoxy)phenyl]propan-1-ol (CID 103960528) is (1R)-1-[2-(2,3,5-trimethylphenoxy)phenyl]propan-1-ol.
What is the SMILES notation for (1R)-1-[2-(2,3,5-trimethylphenoxy)phenyl]propan-1-ol?
The canonical SMILES for (1R)-1-[2-(2,3,5-trimethylphenoxy)phenyl]propan-1-ol is CC[C@@H](O)c1ccccc1Oc1cc(C)cc(C)c1C.
What is the InChIKey of (1R)-1-[2-(2,3,5-trimethylphenoxy)phenyl]propan-1-ol?
The InChIKey is QEDKBWHUKIENIL-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22O2/c1-5-16(19)15-8-6-7-9-17(15)20-18-11-12(2)10-13(3)14(18)4/h6-11,16,19H,5H2,1-4H3/t16-/m1/s1.
What are the key properties of (1R)-1-[2-(2,3,5-trimethylphenoxy)phenyl]propan-1-ol?
(1R)-1-[2-(2,3,5-trimethylphenoxy)phenyl]propan-1-ol has a molecular weight of 270.37 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(2,3,5-trimethylphenoxy)phenyl]propan-1-ol is sourced from PubChem (CID 103960528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).