(1S)-1-[4-(2-methylpentoxy)phenyl]propan-1-ol

C15H24O2 — CID 55189541

IUPAC(1S)-1-[4-(2-methylpentoxy)phenyl]propan-1-ol
SMILESCCCC(C)COc1ccc([C@@H](O)CC)cc1
InChIInChI=1S/C15H24O2/c1-4-6-12(3)11-17-14-9-7-13(8-10-14)15(16)5-2/h7-10,12,15-16H,4-6,11H2,1-3H3/t12?,15-/m0/s1
InChIKeyAHFHCPUQYLVOTL-CVRLYYSRSA-N
MW236.35 g/mol
LogP3.94
Rot. Bonds7

About (1S)-1-[4-(2-methylpentoxy)phenyl]propan-1-ol

(1S)-1-[4-(2-methylpentoxy)phenyl]propan-1-ol (PubChem CID 55189541) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (1S)-1-[4-(2-methylpentoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[4-(2-methylpentoxy)phenyl]propan-1-ol
PubChem CID55189541
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(1S)-1-[4-(2-methylpentoxy)phenyl]propan-1-ol
SMILESCCCC(C)COc1ccc([C@@H](O)CC)cc1
InChIInChI=1S/C15H24O2/c1-4-6-12(3)11-17-14-9-7-13(8-10-14)15(16)5-2/h7-10,12,15-16H,4-6,11H2,1-3H3/t12?,15-/m0/s1
InChIKeyAHFHCPUQYLVOTL-CVRLYYSRSA-N
XLogP3.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(1-hydroxypropyl)phenoxy]butan-2-ol
CID 60887102
1-(4-butoxyphenyl)propan-1-ol
CID 19979001
1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenyl]propan-1-ol
CID 121279067
1-butoxy-3-[4-(1-hydroxypropyl)phenoxy]propan-2-ol
CID 107263390
(1S)-1-[4-(ethoxymethoxy)phenyl]propan-1-ol
CID 79005366
1-(4-but-2-ynoxyphenyl)propan-1-ol
CID 62311750
(1R)-1-[4-[2-(3-methylbutoxy)ethoxy]phenyl]propan-1-ol
CID 78934322
(1R)-2-methoxy-2-methyl-1-[4-(2-methylpentoxy)phenyl]propan-1-amine
CID 170640517
(1S)-1-[4-(2-phenoxyethoxy)phenyl]propan-1-ol
CID 78932191
1-[4-(1-hydroxypropyl)phenoxy]-2-methylpropan-2-ol
CID 60883807
[(1R)-1-[4-(2-methylpentoxy)phenyl]-2-oxoethyl]carbamic acid
CID 89116603
(1R,6R)-1,6-bis(4-butoxyphenyl)hexane-1,6-diol
CID 7452438

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(2-methylpentoxy)phenyl]propan-1-ol?
The IUPAC name of (1S)-1-[4-(2-methylpentoxy)phenyl]propan-1-ol (CID 55189541) is (1S)-1-[4-(2-methylpentoxy)phenyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[4-(2-methylpentoxy)phenyl]propan-1-ol?
The canonical SMILES for (1S)-1-[4-(2-methylpentoxy)phenyl]propan-1-ol is CCCC(C)COc1ccc([C@@H](O)CC)cc1.
What is the InChIKey of (1S)-1-[4-(2-methylpentoxy)phenyl]propan-1-ol?
The InChIKey is AHFHCPUQYLVOTL-CVRLYYSRSA-N. The full InChI is InChI=1S/C15H24O2/c1-4-6-12(3)11-17-14-9-7-13(8-10-14)15(16)5-2/h7-10,12,15-16H,4-6,11H2,1-3H3/t12?,15-/m0/s1.
What are the key properties of (1S)-1-[4-(2-methylpentoxy)phenyl]propan-1-ol?
(1S)-1-[4-(2-methylpentoxy)phenyl]propan-1-ol has a molecular weight of 236.35 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(2-methylpentoxy)phenyl]propan-1-ol is sourced from PubChem (CID 55189541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).