2-[(2-methoxy-5-propan-2-ylphenyl)methyl]butan-1-ol

C15H24O2 — CID 116930752

IUPAC2-[(2-methoxy-5-propan-2-ylphenyl)methyl]butan-1-ol
SMILESCCC(CO)Cc1cc(C(C)C)ccc1OC
InChIInChI=1S/C15H24O2/c1-5-12(10-16)8-14-9-13(11(2)3)6-7-15(14)17-4/h6-7,9,11-12,16H,5,8,10H2,1-4H3
InChIKeyVABXMEWXCDFYCI-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.38
Rot. Bonds6

About 2-[(2-methoxy-5-propan-2-ylphenyl)methyl]butan-1-ol

2-[(2-methoxy-5-propan-2-ylphenyl)methyl]butan-1-ol (PubChem CID 116930752) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2-[(2-methoxy-5-propan-2-ylphenyl)methyl]butan-1-ol.

Molecular Properties

Compound Name2-[(2-methoxy-5-propan-2-ylphenyl)methyl]butan-1-ol
PubChem CID116930752
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2-[(2-methoxy-5-propan-2-ylphenyl)methyl]butan-1-ol
SMILESCCC(CO)Cc1cc(C(C)C)ccc1OC
InChIInChI=1S/C15H24O2/c1-5-12(10-16)8-14-9-13(11(2)3)6-7-15(14)17-4/h6-7,9,11-12,16H,5,8,10H2,1-4H3
InChIKeyVABXMEWXCDFYCI-UHFFFAOYSA-N
XLogP3.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(2-methoxy-5-propan-2-ylphenyl)methyl]butan-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

2-[(2,5-dimethoxyphenyl)methyl]butan-1-ol
CID 116930738
2-[(2-methoxy-5-propan-2-ylphenyl)methyl]butanenitrile
CID 116931504
2-[[6-(2-methoxy-5-propan-2-ylphenyl)pyrazin-2-yl]methyl]butan-1-ol
CID 160971479
2-[(2,3-dichloro-4-methoxyphenyl)methyl]butan-1-ol
CID 116930825
1-(2-methoxy-5-propan-2-ylphenyl)-N,3-dimethylbutan-2-amine
CID 112513404
1-(3-ethyl-4-methoxyphenyl)ethanol
CID 83529963
1-(2-methoxy-5-pentan-3-ylphenyl)propan-2-amine
CID 117343720
2-ethoxy-1-methoxy-4-propan-2-ylbenzene
CID 22087689
ethane;1-ethyl-2-methoxy-4-propan-2-ylbenzene
CID 166091157
1-(3-ethyl-4-methoxyphenyl)ethane-1,2-diol
CID 82281977
2-hydroxy-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]acetamide
CID 94687136
1-[(2-methoxy-5-propan-2-ylphenyl)methoxy]butan-2-amine
CID 82353795

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-5-propan-2-ylphenyl)methyl]butan-1-ol?
The IUPAC name of 2-[(2-methoxy-5-propan-2-ylphenyl)methyl]butan-1-ol (CID 116930752) is 2-[(2-methoxy-5-propan-2-ylphenyl)methyl]butan-1-ol.
What is the SMILES notation for 2-[(2-methoxy-5-propan-2-ylphenyl)methyl]butan-1-ol?
The canonical SMILES for 2-[(2-methoxy-5-propan-2-ylphenyl)methyl]butan-1-ol is CCC(CO)Cc1cc(C(C)C)ccc1OC.
What is the InChIKey of 2-[(2-methoxy-5-propan-2-ylphenyl)methyl]butan-1-ol?
The InChIKey is VABXMEWXCDFYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-5-12(10-16)8-14-9-13(11(2)3)6-7-15(14)17-4/h6-7,9,11-12,16H,5,8,10H2,1-4H3.
What are the key properties of 2-[(2-methoxy-5-propan-2-ylphenyl)methyl]butan-1-ol?
2-[(2-methoxy-5-propan-2-ylphenyl)methyl]butan-1-ol has a molecular weight of 236.35 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-5-propan-2-ylphenyl)methyl]butan-1-ol is sourced from PubChem (CID 116930752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).