1-[2-methoxy-4-(2-methylpropyl)phenyl]pentan-1-ol

C16H26O2 — CID 19010736

IUPAC1-[2-methoxy-4-(2-methylpropyl)phenyl]pentan-1-ol
SMILESCCCCC(O)c1ccc(CC(C)C)cc1OC
InChIInChI=1S/C16H26O2/c1-5-6-7-15(17)14-9-8-13(10-12(2)3)11-16(14)18-4/h8-9,11-12,15,17H,5-7,10H2,1-4H3
InChIKeyHTWWCTXRYSFBOQ-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.12
Rot. Bonds7

About 1-[2-methoxy-4-(2-methylpropyl)phenyl]pentan-1-ol

1-[2-methoxy-4-(2-methylpropyl)phenyl]pentan-1-ol (PubChem CID 19010736) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1-[2-methoxy-4-(2-methylpropyl)phenyl]pentan-1-ol.

Molecular Properties

Compound Name1-[2-methoxy-4-(2-methylpropyl)phenyl]pentan-1-ol
PubChem CID19010736
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name1-[2-methoxy-4-(2-methylpropyl)phenyl]pentan-1-ol
SMILESCCCCC(O)c1ccc(CC(C)C)cc1OC
InChIInChI=1S/C16H26O2/c1-5-6-7-15(17)14-9-8-13(10-12(2)3)11-16(14)18-4/h8-9,11-12,15,17H,5-7,10H2,1-4H3
InChIKeyHTWWCTXRYSFBOQ-UHFFFAOYSA-N
XLogP4.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-methoxy-4-(2-methylpropyl)phenyl]pentan-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

1-(4-bromo-2-methoxyphenyl)pentan-1-ol
CID 115783251
1-(2,4-dimethoxyphenyl)-4-methylpentan-1-ol
CID 61088835
2-methoxy-4-(2-methylpropyl)-1-propylbenzene
CID 90998331
1-(4-bromo-2-methoxyphenyl)butan-1-ol
CID 115780858
(1R)-1-(4-chloro-2-methoxyphenyl)butan-1-ol
CID 106820012
1-(2-methoxy-5-methylphenyl)pentan-1-ol
CID 61080930
2-methoxy-1,4-bis(2-methylpropyl)benzene
CID 91036364
1-(4,5-dimethoxy-2-methylphenyl)pentan-1-ol
CID 61080758
1-(3-methoxy-4-pyridinyl)pentan-1-ol
CID 105066220
(4-bromo-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanol
CID 115369706
1-(4-bromo-2-methoxyphenyl)-2-(4-bromophenyl)ethanol
CID 115370061
tributyl-[(3,4-dimethoxyphenyl)methyl]phosphanium chloride
CID 71414193

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-4-(2-methylpropyl)phenyl]pentan-1-ol?
The IUPAC name of 1-[2-methoxy-4-(2-methylpropyl)phenyl]pentan-1-ol (CID 19010736) is 1-[2-methoxy-4-(2-methylpropyl)phenyl]pentan-1-ol.
What is the SMILES notation for 1-[2-methoxy-4-(2-methylpropyl)phenyl]pentan-1-ol?
The canonical SMILES for 1-[2-methoxy-4-(2-methylpropyl)phenyl]pentan-1-ol is CCCCC(O)c1ccc(CC(C)C)cc1OC.
What is the InChIKey of 1-[2-methoxy-4-(2-methylpropyl)phenyl]pentan-1-ol?
The InChIKey is HTWWCTXRYSFBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-5-6-7-15(17)14-9-8-13(10-12(2)3)11-16(14)18-4/h8-9,11-12,15,17H,5-7,10H2,1-4H3.
What are the key properties of 1-[2-methoxy-4-(2-methylpropyl)phenyl]pentan-1-ol?
1-[2-methoxy-4-(2-methylpropyl)phenyl]pentan-1-ol has a molecular weight of 250.38 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-4-(2-methylpropyl)phenyl]pentan-1-ol is sourced from PubChem (CID 19010736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).