3-methoxy-1-(4-propan-2-ylphenyl)propan-1-ol

C13H20O2 — CID 62607398

IUPAC3-methoxy-1-(4-propan-2-ylphenyl)propan-1-ol
SMILESCOCCC(O)c1ccc(C(C)C)cc1
InChIInChI=1S/C13H20O2/c1-10(2)11-4-6-12(7-5-11)13(14)8-9-15-3/h4-7,10,13-14H,8-9H2,1-3H3
InChIKeyUVNSYXJJKJQVNS-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.88
Rot. Bonds5

About 3-methoxy-1-(4-propan-2-ylphenyl)propan-1-ol

3-methoxy-1-(4-propan-2-ylphenyl)propan-1-ol (PubChem CID 62607398) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-methoxy-1-(4-propan-2-ylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-methoxy-1-(4-propan-2-ylphenyl)propan-1-ol
PubChem CID62607398
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name3-methoxy-1-(4-propan-2-ylphenyl)propan-1-ol
SMILESCOCCC(O)c1ccc(C(C)C)cc1
InChIInChI=1S/C13H20O2/c1-10(2)11-4-6-12(7-5-11)13(14)8-9-15-3/h4-7,10,13-14H,8-9H2,1-3H3
InChIKeyUVNSYXJJKJQVNS-UHFFFAOYSA-N
XLogP2.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-5-methoxy-2-(4-propan-2-ylphenyl)pentan-3-ol
CID 65189945
1-(4-propan-2-ylphenyl)-3-sulfanylpropan-1-ol
CID 116830932
3-methoxy-1-thiophen-3-ylpropan-1-ol
CID 62608736
1-(3,4-diethoxyphenyl)-3-methoxypropan-1-ol
CID 62789961
3-amino-1-(4-chlorophenyl)-5-methoxypentan-1-ol
CID 103967403
1-(3,5-difluorophenyl)-3-methoxypropan-1-ol
CID 62606172
1-(4-methoxyphenyl)-3-propan-2-yloxypropan-1-ol
CID 115001584
2-[cyclopropyl(2-methoxyethyl)amino]-1-(4-propan-2-ylphenyl)ethanol
CID 60970438
4-methoxy-1-[4-(trifluoromethyl)phenyl]butan-1-ol
CID 65091791
3-amino-5-methoxy-1-(4-propan-2-ylphenyl)pentan-2-one
CID 116567406
4-methylsulfonyl-1-(4-propan-2-ylphenyl)butan-1-ol
CID 55160995
3-methoxy-1-(5-methylthiophen-3-yl)propan-1-ol
CID 65099648

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(4-propan-2-ylphenyl)propan-1-ol?
The IUPAC name of 3-methoxy-1-(4-propan-2-ylphenyl)propan-1-ol (CID 62607398) is 3-methoxy-1-(4-propan-2-ylphenyl)propan-1-ol.
What is the SMILES notation for 3-methoxy-1-(4-propan-2-ylphenyl)propan-1-ol?
The canonical SMILES for 3-methoxy-1-(4-propan-2-ylphenyl)propan-1-ol is COCCC(O)c1ccc(C(C)C)cc1.
What is the InChIKey of 3-methoxy-1-(4-propan-2-ylphenyl)propan-1-ol?
The InChIKey is UVNSYXJJKJQVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-10(2)11-4-6-12(7-5-11)13(14)8-9-15-3/h4-7,10,13-14H,8-9H2,1-3H3.
What are the key properties of 3-methoxy-1-(4-propan-2-ylphenyl)propan-1-ol?
3-methoxy-1-(4-propan-2-ylphenyl)propan-1-ol has a molecular weight of 208.30 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(4-propan-2-ylphenyl)propan-1-ol is sourced from PubChem (CID 62607398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).