(1S)-1-(4-methoxyphenyl)hexan-1-ol

C13H20O2 — CID 102325483

IUPAC(1S)-1-(4-methoxyphenyl)hexan-1-ol
SMILESCCCCC[C@H](O)c1ccc(OC)cc1
InChIInChI=1S/C13H20O2/c1-3-4-5-6-13(14)11-7-9-12(15-2)10-8-11/h7-10,13-14H,3-6H2,1-2H3/t13-/m0/s1
InChIKeyLCUORRLHAMAROP-ZDUSSCGKSA-N
MW208.30 g/mol
LogP3.31
Rot. Bonds6

About (1S)-1-(4-methoxyphenyl)hexan-1-ol

(1S)-1-(4-methoxyphenyl)hexan-1-ol (PubChem CID 102325483) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is (1S)-1-(4-methoxyphenyl)hexan-1-ol.

Molecular Properties

Compound Name(1S)-1-(4-methoxyphenyl)hexan-1-ol
PubChem CID102325483
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name(1S)-1-(4-methoxyphenyl)hexan-1-ol
SMILESCCCCC[C@H](O)c1ccc(OC)cc1
InChIInChI=1S/C13H20O2/c1-3-4-5-6-13(14)11-7-9-12(15-2)10-8-11/h7-10,13-14H,3-6H2,1-2H3/t13-/m0/s1
InChIKeyLCUORRLHAMAROP-ZDUSSCGKSA-N
XLogP3.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(4-methoxyphenyl)nonan-1-ol
CID 15156207
1-(4-methoxyphenyl)pentan-1-ol
CID 10176510
(1S)-1-(4-methoxyphenyl)pentane-1,5-diol
CID 92859928
(1R,6R)-1,6-bis(4-butoxyphenyl)hexane-1,6-diol
CID 7452438
1-(4-methoxyphenyl)decane-1,2-diol
CID 77411526
1-methoxy-4-[1-(4-methoxyphenyl)octyl]benzene
CID 10520209
1-methoxy-4-[1-(4-methoxyphenyl)henicosyl]benzene
CID 168813672
1-methoxy-4-[1-(4-methoxyphenyl)heptyl]benzene
CID 57185259
1-(4-methoxyphenyl)-4-methylpentan-1-ol
CID 61101415
1-(4-methoxyphenyl)heptylhydrazine
CID 105190916
4-ethenylsulfanyl-1-(4-methoxyphenyl)butan-1-ol
CID 142725988
2-[butyl(methyl)amino]-1-(4-methoxyphenyl)ethanol
CID 54944684

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methoxyphenyl)hexan-1-ol?
The IUPAC name of (1S)-1-(4-methoxyphenyl)hexan-1-ol (CID 102325483) is (1S)-1-(4-methoxyphenyl)hexan-1-ol.
What is the SMILES notation for (1S)-1-(4-methoxyphenyl)hexan-1-ol?
The canonical SMILES for (1S)-1-(4-methoxyphenyl)hexan-1-ol is CCCCC[C@H](O)c1ccc(OC)cc1.
What is the InChIKey of (1S)-1-(4-methoxyphenyl)hexan-1-ol?
The InChIKey is LCUORRLHAMAROP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H20O2/c1-3-4-5-6-13(14)11-7-9-12(15-2)10-8-11/h7-10,13-14H,3-6H2,1-2H3/t13-/m0/s1.
What are the key properties of (1S)-1-(4-methoxyphenyl)hexan-1-ol?
(1S)-1-(4-methoxyphenyl)hexan-1-ol has a molecular weight of 208.30 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-methoxyphenyl)hexan-1-ol is sourced from PubChem (CID 102325483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).