1-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]pentan-2-ol

C21H28O3 — CID 71211206

IUPAC1-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]pentan-2-ol
SMILESCCCC(O)COc1ccc(C(C)(C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H28O3/c1-5-6-18(22)15-24-20-13-9-17(10-14-20)21(2,3)16-7-11-19(23-4)12-8-16/h7-14,18,22H,5-6,15H2,1-4H3
InChIKeyQLLHJVCMDGSSEQ-UHFFFAOYSA-N
MW328.45 g/mol
LogP4.56
Rot. Bonds8

About 1-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]pentan-2-ol

1-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]pentan-2-ol (PubChem CID 71211206) has the molecular formula C21H28O3 and a molecular weight of 328.45 g/mol. Its IUPAC name is 1-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]pentan-2-ol.

Molecular Properties

Compound Name1-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]pentan-2-ol
PubChem CID71211206
Molecular FormulaC21H28O3
Molecular Weight328.45 g/mol
Exact Mass328.20
IUPAC Name1-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]pentan-2-ol
SMILESCCCC(O)COc1ccc(C(C)(C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H28O3/c1-5-6-18(22)15-24-20-13-9-17(10-14-20)21(2,3)16-7-11-19(23-4)12-8-16/h7-14,18,22H,5-6,15H2,1-4H3
InChIKeyQLLHJVCMDGSSEQ-UHFFFAOYSA-N
XLogP4.56
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]pentan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(trifluoromethyl)phenoxy]pentan-2-ol
CID 117241736
3-[4-[2-[4-(2-hydroxyhexoxy)phenyl]propan-2-yl]phenoxy]propane-1,2-diol
CID 91252951
1-(4-methoxyphenoxy)tetradecan-2-ol
CID 59993706
(2S)-1-[4-[2-[4-[(2S)-2-hydroxy-3-phenoxypropoxy]phenyl]propan-2-yl]phenoxy]-3-phenoxypropan-2-ol
CID 92974246
(2S)-1-[4-[2-[4-[(2R)-2-hydroxy-3-phenoxypropoxy]phenyl]propan-2-yl]phenoxy]-3-phenoxypropan-2-ol
CID 92974245
1-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]-3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 18728927
1-(4-propoxyphenoxy)pentan-2-ol
CID 62041723
1,3-bis[4-[2-[4-(2-methoxyethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 20661045
4-hydroxy-5-[4-[2-[4-(2-hydroxy-4-oxopentoxy)phenyl]propan-2-yl]phenoxy]pentan-2-one
CID 22981470
1-ethenoxy-3-[4-[2-[4-(3-ethenoxy-2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 69463791
1-[2-aminoethyl(2-hydroxyethyl)amino]-3-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]propan-2-ol;1-[bis(2-hydroxyethyl)amino]-3-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]propan-2-ol;methane
CID 158405174
1-[4-[2-[4-(2,3,3-trifluoropropoxy)phenyl]propan-2-yl]phenoxy]butan-2-ol
CID 159432650

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]pentan-2-ol?
The IUPAC name of 1-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]pentan-2-ol (CID 71211206) is 1-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]pentan-2-ol.
What is the SMILES notation for 1-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]pentan-2-ol?
The canonical SMILES for 1-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]pentan-2-ol is CCCC(O)COc1ccc(C(C)(C)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]pentan-2-ol?
The InChIKey is QLLHJVCMDGSSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O3/c1-5-6-18(22)15-24-20-13-9-17(10-14-20)21(2,3)16-7-11-19(23-4)12-8-16/h7-14,18,22H,5-6,15H2,1-4H3.
What are the key properties of 1-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]pentan-2-ol?
1-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]pentan-2-ol has a molecular weight of 328.45 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]pentan-2-ol is sourced from PubChem (CID 71211206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).