1-(4-methylphenyl)-3-(3-phenoxyphenyl)propan-1-ol

C22H22O2 — CID 82185660

IUPAC1-(4-methylphenyl)-3-(3-phenoxyphenyl)propan-1-ol
SMILESCc1ccc(C(O)CCc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C22H22O2/c1-17-10-13-19(14-11-17)22(23)15-12-18-6-5-9-21(16-18)24-20-7-3-2-4-8-20/h2-11,13-14,16,22-23H,12,15H2,1H3
InChIKeyRQJUPOVIZJYQNM-UHFFFAOYSA-N
MW318.42 g/mol
LogP5.45
Rot. Bonds6

About 1-(4-methylphenyl)-3-(3-phenoxyphenyl)propan-1-ol

1-(4-methylphenyl)-3-(3-phenoxyphenyl)propan-1-ol (PubChem CID 82185660) has the molecular formula C22H22O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-(3-phenoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-(3-phenoxyphenyl)propan-1-ol
PubChem CID82185660
Molecular FormulaC22H22O2
Molecular Weight318.42 g/mol
Exact Mass318.16
IUPAC Name1-(4-methylphenyl)-3-(3-phenoxyphenyl)propan-1-ol
SMILESCc1ccc(C(O)CCc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C22H22O2/c1-17-10-13-19(14-11-17)22(23)15-12-18-6-5-9-21(16-18)24-20-7-3-2-4-8-20/h2-11,13-14,16,22-23H,12,15H2,1H3
InChIKeyRQJUPOVIZJYQNM-UHFFFAOYSA-N
XLogP5.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.42
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-methylphenyl)-3-(3-phenoxyphenyl)propan-1-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

3-(3-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-ol
CID 12648153
3-[3-(2-methylpropoxy)phenyl]-1-phenylpropan-1-ol
CID 82185180
2-(4-methylphenyl)-3-(3-phenoxyphenyl)propan-1-amine
CID 82160286
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
2-[3-(3-hydroxy-3-phenylpropyl)phenoxy]ethylazanium
CID 149351429
3-(3-methylphenyl)-1-(4-propoxyphenyl)propan-1-ol
CID 105095182
1,3-bis(3-methylphenyl)propan-1-ol
CID 105077889
(1R)-1,3-diphenylpropan-1-ol
CID 11845542
1-phenoxy-3-(3-phenylpropyl)benzene
CID 173282204
3-(3-aminophenyl)-1-phenylpropan-1-ol
CID 12932006
1-(4-ethylphenyl)-3-(4-methylphenyl)propan-1-ol
CID 105084361
3-phenyl-1-(4-propoxyphenyl)propan-1-ol
CID 62795595

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-(3-phenoxyphenyl)propan-1-ol?
The IUPAC name of 1-(4-methylphenyl)-3-(3-phenoxyphenyl)propan-1-ol (CID 82185660) is 1-(4-methylphenyl)-3-(3-phenoxyphenyl)propan-1-ol.
What is the SMILES notation for 1-(4-methylphenyl)-3-(3-phenoxyphenyl)propan-1-ol?
The canonical SMILES for 1-(4-methylphenyl)-3-(3-phenoxyphenyl)propan-1-ol is Cc1ccc(C(O)CCc2cccc(Oc3ccccc3)c2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-(3-phenoxyphenyl)propan-1-ol?
The InChIKey is RQJUPOVIZJYQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O2/c1-17-10-13-19(14-11-17)22(23)15-12-18-6-5-9-21(16-18)24-20-7-3-2-4-8-20/h2-11,13-14,16,22-23H,12,15H2,1H3.
What are the key properties of 1-(4-methylphenyl)-3-(3-phenoxyphenyl)propan-1-ol?
1-(4-methylphenyl)-3-(3-phenoxyphenyl)propan-1-ol has a molecular weight of 318.42 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-(3-phenoxyphenyl)propan-1-ol is sourced from PubChem (CID 82185660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).