(1R)-1-[4-[2-(3-methylbutoxy)ethoxy]phenyl]propan-1-ol

C16H26O3 — CID 78934322

IUPAC(1R)-1-[4-[2-(3-methylbutoxy)ethoxy]phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccc(OCCOCCC(C)C)cc1
InChIInChI=1S/C16H26O3/c1-4-16(17)14-5-7-15(8-6-14)19-12-11-18-10-9-13(2)3/h5-8,13,16-17H,4,9-12H2,1-3H3/t16-/m1/s1
InChIKeyMDRTWZPQDJZONW-MRXNPFEDSA-N
MW266.38 g/mol
LogP3.57
Rot. Bonds9

About (1R)-1-[4-[2-(3-methylbutoxy)ethoxy]phenyl]propan-1-ol

(1R)-1-[4-[2-(3-methylbutoxy)ethoxy]phenyl]propan-1-ol (PubChem CID 78934322) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is (1R)-1-[4-[2-(3-methylbutoxy)ethoxy]phenyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[4-[2-(3-methylbutoxy)ethoxy]phenyl]propan-1-ol
PubChem CID78934322
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name(1R)-1-[4-[2-(3-methylbutoxy)ethoxy]phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccc(OCCOCCC(C)C)cc1
InChIInChI=1S/C16H26O3/c1-4-16(17)14-5-7-15(8-6-14)19-12-11-18-10-9-13(2)3/h5-8,13,16-17H,4,9-12H2,1-3H3/t16-/m1/s1
InChIKeyMDRTWZPQDJZONW-MRXNPFEDSA-N
XLogP3.57
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-1-ol
CID 61071633
(1S)-1-[4-(2-phenoxyethoxy)phenyl]propan-1-ol
CID 78932191
1-(4-butoxyphenyl)propan-1-ol
CID 19979001
4-[2-(3-methylbutoxy)ethoxy]aniline
CID 43366007
1-iodo-4-[2-(3-methylbutoxy)ethoxy]benzene
CID 63530619
(1R)-1-[4-(3-phenoxypropoxy)phenyl]propan-1-ol
CID 63365592
5-[4-[(1R)-1-hydroxypropyl]phenoxy]pentanenitrile
CID 78933493
(1S)-1-[4-(ethoxymethoxy)phenyl]propan-1-ol
CID 79005366
6-[4-[(1R)-1-hydroxypropyl]phenoxy]hexan-1-ol
CID 107704156
[4-[2-(3-methylbutoxy)ethoxy]phenyl]methanamine
CID 43254164
1-[4-(2-methylsulfanylethoxy)phenyl]propan-1-ol
CID 115900486
(1S)-1-[4-(2-methylpentoxy)phenyl]propan-1-ol
CID 55189541

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[2-(3-methylbutoxy)ethoxy]phenyl]propan-1-ol?
The IUPAC name of (1R)-1-[4-[2-(3-methylbutoxy)ethoxy]phenyl]propan-1-ol (CID 78934322) is (1R)-1-[4-[2-(3-methylbutoxy)ethoxy]phenyl]propan-1-ol.
What is the SMILES notation for (1R)-1-[4-[2-(3-methylbutoxy)ethoxy]phenyl]propan-1-ol?
The canonical SMILES for (1R)-1-[4-[2-(3-methylbutoxy)ethoxy]phenyl]propan-1-ol is CC[C@@H](O)c1ccc(OCCOCCC(C)C)cc1.
What is the InChIKey of (1R)-1-[4-[2-(3-methylbutoxy)ethoxy]phenyl]propan-1-ol?
The InChIKey is MDRTWZPQDJZONW-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H26O3/c1-4-16(17)14-5-7-15(8-6-14)19-12-11-18-10-9-13(2)3/h5-8,13,16-17H,4,9-12H2,1-3H3/t16-/m1/s1.
What are the key properties of (1R)-1-[4-[2-(3-methylbutoxy)ethoxy]phenyl]propan-1-ol?
(1R)-1-[4-[2-(3-methylbutoxy)ethoxy]phenyl]propan-1-ol has a molecular weight of 266.38 g/mol, XLogP of 3.57, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[2-(3-methylbutoxy)ethoxy]phenyl]propan-1-ol is sourced from PubChem (CID 78934322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).