1-(4-methoxyphenyl)-4-methylpentan-1-ol

C13H20O2 — CID 61101415

IUPAC1-(4-methoxyphenyl)-4-methylpentan-1-ol
SMILESCOc1ccc(C(O)CCC(C)C)cc1
InChIInChI=1S/C13H20O2/c1-10(2)4-9-13(14)11-5-7-12(15-3)8-6-11/h5-8,10,13-14H,4,9H2,1-3H3
InChIKeyFSAZBDHOFPDCNV-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.16
Rot. Bonds5

About 1-(4-methoxyphenyl)-4-methylpentan-1-ol

1-(4-methoxyphenyl)-4-methylpentan-1-ol (PubChem CID 61101415) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-methylpentan-1-ol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-methylpentan-1-ol
PubChem CID61101415
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-(4-methoxyphenyl)-4-methylpentan-1-ol
SMILESCOc1ccc(C(O)CCC(C)C)cc1
InChIInChI=1S/C13H20O2/c1-10(2)4-9-13(14)11-5-7-12(15-3)8-6-11/h5-8,10,13-14H,4,9H2,1-3H3
InChIKeyFSAZBDHOFPDCNV-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyphenyl)pentan-1-ol
CID 10176510
2-[bis(2-methylpropyl)amino]-1-(4-methoxyphenyl)ethanol
CID 60969080
1-(4-methoxyphenyl)-3-propan-2-yloxypropan-1-ol
CID 115001584
(1S)-1-(4-methoxyphenyl)hexan-1-ol
CID 102325483
(1S)-1-(4-methoxyphenyl)pentane-1,5-diol
CID 92859928
(1R,3S)-1-(4-methoxyphenyl)butane-1,3-diol
CID 101493823
(1S)-1-(4-methoxyphenyl)nonan-1-ol
CID 15156207
1-(4-methoxyphenyl)-3,5-dimethylhexan-1-ol
CID 114200447
4-hydroxy-4-(4-methoxyphenyl)butanoic acid
CID 4193826
1-(4-methoxyphenyl)(213C)ethane-1,2-diol
CID 101170566
1-(3,4-dimethoxyphenyl)-4-methylpentan-1-ol
CID 61099857
1-(4-methoxyphenyl)-4-methylpent-4-en-1-ol
CID 114473769

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-methylpentan-1-ol?
The IUPAC name of 1-(4-methoxyphenyl)-4-methylpentan-1-ol (CID 61101415) is 1-(4-methoxyphenyl)-4-methylpentan-1-ol.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-methylpentan-1-ol?
The canonical SMILES for 1-(4-methoxyphenyl)-4-methylpentan-1-ol is COc1ccc(C(O)CCC(C)C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-methylpentan-1-ol?
The InChIKey is FSAZBDHOFPDCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-10(2)4-9-13(14)11-5-7-12(15-3)8-6-11/h5-8,10,13-14H,4,9H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-4-methylpentan-1-ol?
1-(4-methoxyphenyl)-4-methylpentan-1-ol has a molecular weight of 208.30 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-methylpentan-1-ol is sourced from PubChem (CID 61101415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).