(1R)-1-(4-pentoxyphenyl)ethanol

C13H20O2 — CID 25324369

IUPAC(1R)-1-(4-pentoxyphenyl)ethanol
SMILESCCCCCOc1ccc([C@@H](C)O)cc1
InChIInChI=1S/C13H20O2/c1-3-4-5-10-15-13-8-6-12(7-9-13)11(2)14/h6-9,11,14H,3-5,10H2,1-2H3/t11-/m1/s1
InChIKeyLBVSMLUOJGZYAI-LLVKDONJSA-N
MW208.30 g/mol
LogP3.31
Rot. Bonds6

About (1R)-1-(4-pentoxyphenyl)ethanol

(1R)-1-(4-pentoxyphenyl)ethanol (PubChem CID 25324369) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is (1R)-1-(4-pentoxyphenyl)ethanol.

Molecular Properties

Compound Name(1R)-1-(4-pentoxyphenyl)ethanol
PubChem CID25324369
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name(1R)-1-(4-pentoxyphenyl)ethanol
SMILESCCCCCOc1ccc([C@@H](C)O)cc1
InChIInChI=1S/C13H20O2/c1-3-4-5-10-15-13-8-6-12(7-9-13)11(2)14/h6-9,11,14H,3-5,10H2,1-2H3/t11-/m1/s1
InChIKeyLBVSMLUOJGZYAI-LLVKDONJSA-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

(1R)-1-(4-nonoxyphenyl)ethanol
CID 78944579
(1R)-1-(4-octoxyphenyl)ethanol
CID 55223040
bis(4-octoxyphenyl)methanol
CID 139262063
5-[4-[(1S)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 78930532
5-[4-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 63364105
(1S)-1-[4-(3-ethoxypropoxy)phenyl]ethanol
CID 65175040
1,4-dipentoxybenzene
CID 18314717
(1S)-1-[4-(3-fluoropropoxy)phenyl]ethanol
CID 81113862
1-(4-butoxyphenyl)-2-methylbutan-1-ol
CID 105116550
2-bromo-1-(4-octoxyphenyl)ethanol
CID 118331988
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-pentoxyphenyl)ethanol?
The IUPAC name of (1R)-1-(4-pentoxyphenyl)ethanol (CID 25324369) is (1R)-1-(4-pentoxyphenyl)ethanol.
What is the SMILES notation for (1R)-1-(4-pentoxyphenyl)ethanol?
The canonical SMILES for (1R)-1-(4-pentoxyphenyl)ethanol is CCCCCOc1ccc([C@@H](C)O)cc1.
What is the InChIKey of (1R)-1-(4-pentoxyphenyl)ethanol?
The InChIKey is LBVSMLUOJGZYAI-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20O2/c1-3-4-5-10-15-13-8-6-12(7-9-13)11(2)14/h6-9,11,14H,3-5,10H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-(4-pentoxyphenyl)ethanol?
(1R)-1-(4-pentoxyphenyl)ethanol 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 (1R)-1-(4-pentoxyphenyl)ethanol is sourced from PubChem (CID 25324369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).