(1R)-1-(2-butoxy-4-methylphenyl)ethanol

C13H20O2 — CID 63650593

IUPAC(1R)-1-(2-butoxy-4-methylphenyl)ethanol
SMILESCCCCOc1cc(C)ccc1[C@@H](C)O
InChIInChI=1S/C13H20O2/c1-4-5-8-15-13-9-10(2)6-7-12(13)11(3)14/h6-7,9,11,14H,4-5,8H2,1-3H3/t11-/m1/s1
InChIKeyZCIJVOWQBAFCQN-LLVKDONJSA-N
MW208.30 g/mol
LogP3.23
Rot. Bonds5

About (1R)-1-(2-butoxy-4-methylphenyl)ethanol

(1R)-1-(2-butoxy-4-methylphenyl)ethanol (PubChem CID 63650593) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is (1R)-1-(2-butoxy-4-methylphenyl)ethanol.

Molecular Properties

Compound Name(1R)-1-(2-butoxy-4-methylphenyl)ethanol
PubChem CID63650593
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name(1R)-1-(2-butoxy-4-methylphenyl)ethanol
SMILESCCCCOc1cc(C)ccc1[C@@H](C)O
InChIInChI=1S/C13H20O2/c1-4-5-8-15-13-9-10(2)6-7-12(13)11(3)14/h6-7,9,11,14H,4-5,8H2,1-3H3/t11-/m1/s1
InChIKeyZCIJVOWQBAFCQN-LLVKDONJSA-N
XLogP3.23
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 ≤ 53.23
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-methyl-2-nonoxyphenyl)ethanol
CID 78947128
(1R)-1-(4-methyl-2-propoxyphenyl)ethanol
CID 63650759
(1R)-1-(2-butoxy-4-methylphenyl)ethanamine
CID 63639629
1-[4-methyl-2-(4,4,4-trifluorobutoxy)phenyl]ethanol
CID 113326521
5-[2-[(1R)-1-hydroxyethyl]-5-methylphenoxy]pentanenitrile
CID 55246869
5-[2-(1-hydroxyethyl)-5-methylphenoxy]pentanenitrile
CID 63650293
1-[4-methyl-2-(3-methylbut-3-enoxy)phenyl]ethanol
CID 114472830
(1S)-1-(4-methoxy-2-pentoxyphenyl)ethanol
CID 82001094
4-[2-(1-hydroxyethyl)-5-methylphenoxy]-2-methylbutan-2-ol
CID 79356014
(1S)-1-[2-[2-(2-methoxyethoxy)ethoxy]-4-methylphenyl]ethanol
CID 78962768
1-(2-heptoxy-4-methoxyphenyl)ethanol
CID 82001545
1-(2,4-dipropoxyphenyl)ethanol
CID 82263776

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-butoxy-4-methylphenyl)ethanol?
The IUPAC name of (1R)-1-(2-butoxy-4-methylphenyl)ethanol (CID 63650593) is (1R)-1-(2-butoxy-4-methylphenyl)ethanol.
What is the SMILES notation for (1R)-1-(2-butoxy-4-methylphenyl)ethanol?
The canonical SMILES for (1R)-1-(2-butoxy-4-methylphenyl)ethanol is CCCCOc1cc(C)ccc1[C@@H](C)O.
What is the InChIKey of (1R)-1-(2-butoxy-4-methylphenyl)ethanol?
The InChIKey is ZCIJVOWQBAFCQN-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20O2/c1-4-5-8-15-13-9-10(2)6-7-12(13)11(3)14/h6-7,9,11,14H,4-5,8H2,1-3H3/t11-/m1/s1.
What are the key properties of (1R)-1-(2-butoxy-4-methylphenyl)ethanol?
(1R)-1-(2-butoxy-4-methylphenyl)ethanol has a molecular weight of 208.30 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-butoxy-4-methylphenyl)ethanol is sourced from PubChem (CID 63650593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).