3-(3-methoxy-4-propan-2-yloxyphenyl)-1-(4-methylphenyl)propan-1-ol

C20H26O3 — CID 82185677

IUPAC3-(3-methoxy-4-propan-2-yloxyphenyl)-1-(4-methylphenyl)propan-1-ol
SMILESCOc1cc(CCC(O)c2ccc(C)cc2)ccc1OC(C)C
InChIInChI=1S/C20H26O3/c1-14(2)23-19-12-8-16(13-20(19)22-4)7-11-18(21)17-9-5-15(3)6-10-17/h5-6,8-10,12-14,18,21H,7,11H2,1-4H3
InChIKeyFEAQWZKTDAJAHH-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.46
Rot. Bonds7

About 3-(3-methoxy-4-propan-2-yloxyphenyl)-1-(4-methylphenyl)propan-1-ol

3-(3-methoxy-4-propan-2-yloxyphenyl)-1-(4-methylphenyl)propan-1-ol (PubChem CID 82185677) has the molecular formula C20H26O3 and a molecular weight of 314.43 g/mol. Its IUPAC name is 3-(3-methoxy-4-propan-2-yloxyphenyl)-1-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(3-methoxy-4-propan-2-yloxyphenyl)-1-(4-methylphenyl)propan-1-ol
PubChem CID82185677
Molecular FormulaC20H26O3
Molecular Weight314.43 g/mol
Exact Mass314.19
IUPAC Name3-(3-methoxy-4-propan-2-yloxyphenyl)-1-(4-methylphenyl)propan-1-ol
SMILESCOc1cc(CCC(O)c2ccc(C)cc2)ccc1OC(C)C
InChIInChI=1S/C20H26O3/c1-14(2)23-19-12-8-16(13-20(19)22-4)7-11-18(21)17-9-5-15(3)6-10-17/h5-6,8-10,12-14,18,21H,7,11H2,1-4H3
InChIKeyFEAQWZKTDAJAHH-UHFFFAOYSA-N
XLogP4.46
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-ethoxy-4-methoxyphenyl)-1-(4-methylphenyl)propan-1-ol
CID 82185656
2-hydroxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(4-methylphenyl)butanamide
CID 142673464
(1R)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]-1-(4-methylphenyl)ethanol
CID 70002975
3-(4-methoxy-3-propan-2-yloxyphenyl)-1-pyridin-2-ylpropan-1-ol
CID 82185316
1-(3,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-ol
CID 105091644
1-(4-ethylphenyl)-3-(4-methylphenyl)propan-1-ol
CID 105084361
(2S)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-(4-methylphenoxy)-2-propan-2-yloxypropanamide
CID 142673390
1-(6-methoxynaphthalen-2-yl)-3-(4-methylphenyl)propan-1-ol
CID 102441860
1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3-(4-methylphenyl)thiourea
CID 100667952
(2R)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-4-phenylbutan-2-amine
CID 51989816
2-methoxyimino-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 72650250
1-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 43391975

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-4-propan-2-yloxyphenyl)-1-(4-methylphenyl)propan-1-ol?
The IUPAC name of 3-(3-methoxy-4-propan-2-yloxyphenyl)-1-(4-methylphenyl)propan-1-ol (CID 82185677) is 3-(3-methoxy-4-propan-2-yloxyphenyl)-1-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-(3-methoxy-4-propan-2-yloxyphenyl)-1-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 3-(3-methoxy-4-propan-2-yloxyphenyl)-1-(4-methylphenyl)propan-1-ol is COc1cc(CCC(O)c2ccc(C)cc2)ccc1OC(C)C.
What is the InChIKey of 3-(3-methoxy-4-propan-2-yloxyphenyl)-1-(4-methylphenyl)propan-1-ol?
The InChIKey is FEAQWZKTDAJAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O3/c1-14(2)23-19-12-8-16(13-20(19)22-4)7-11-18(21)17-9-5-15(3)6-10-17/h5-6,8-10,12-14,18,21H,7,11H2,1-4H3.
What are the key properties of 3-(3-methoxy-4-propan-2-yloxyphenyl)-1-(4-methylphenyl)propan-1-ol?
3-(3-methoxy-4-propan-2-yloxyphenyl)-1-(4-methylphenyl)propan-1-ol has a molecular weight of 314.43 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-4-propan-2-yloxyphenyl)-1-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 82185677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).