(1R)-1-(4-methyl-2-nonoxyphenyl)ethanol

C18H30O2 — CID 78947128

IUPAC(1R)-1-(4-methyl-2-nonoxyphenyl)ethanol
SMILESCCCCCCCCCOc1cc(C)ccc1[C@@H](C)O
InChIInChI=1S/C18H30O2/c1-4-5-6-7-8-9-10-13-20-18-14-15(2)11-12-17(18)16(3)19/h11-12,14,16,19H,4-10,13H2,1-3H3/t16-/m1/s1
InChIKeyYZNYXSARMZLOCF-MRXNPFEDSA-N
MW278.44 g/mol
LogP5.18
Rot. Bonds10

About (1R)-1-(4-methyl-2-nonoxyphenyl)ethanol

(1R)-1-(4-methyl-2-nonoxyphenyl)ethanol (PubChem CID 78947128) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is (1R)-1-(4-methyl-2-nonoxyphenyl)ethanol.

Molecular Properties

Compound Name(1R)-1-(4-methyl-2-nonoxyphenyl)ethanol
PubChem CID78947128
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name(1R)-1-(4-methyl-2-nonoxyphenyl)ethanol
SMILESCCCCCCCCCOc1cc(C)ccc1[C@@H](C)O
InChIInChI=1S/C18H30O2/c1-4-5-6-7-8-9-10-13-20-18-14-15(2)11-12-17(18)16(3)19/h11-12,14,16,19H,4-10,13H2,1-3H3/t16-/m1/s1
InChIKeyYZNYXSARMZLOCF-MRXNPFEDSA-N
XLogP5.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.44
LogP ≤ 55.18
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-(2-butoxy-4-methylphenyl)ethanol
CID 63650593
(1R)-1-(4-methyl-2-propoxyphenyl)ethanol
CID 63650759
1-(4-bromo-2-octoxyphenyl)ethanol
CID 102948186
5-[2-[(1R)-1-hydroxyethyl]-5-methylphenoxy]pentanenitrile
CID 55246869
1-(2-heptoxy-4-methoxyphenyl)ethanol
CID 82001545
5-[2-(1-hydroxyethyl)-5-methylphenoxy]pentanenitrile
CID 63650293
(1S)-1-(4-fluoro-2-pentoxyphenyl)ethanol
CID 78932382
(1S)-1-(4-methoxy-2-pentoxyphenyl)ethanol
CID 82001094
(1R)-1-(2-nonoxyphenyl)ethanol
CID 78944592
(1S)-1-(2-octoxyphenyl)ethanol
CID 55223229
1-[4-methyl-2-(4,4,4-trifluorobutoxy)phenyl]ethanol
CID 113326521
(1R)-1-(2-butoxy-4-methylphenyl)ethanamine
CID 63639629

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-methyl-2-nonoxyphenyl)ethanol?
The IUPAC name of (1R)-1-(4-methyl-2-nonoxyphenyl)ethanol (CID 78947128) is (1R)-1-(4-methyl-2-nonoxyphenyl)ethanol.
What is the SMILES notation for (1R)-1-(4-methyl-2-nonoxyphenyl)ethanol?
The canonical SMILES for (1R)-1-(4-methyl-2-nonoxyphenyl)ethanol is CCCCCCCCCOc1cc(C)ccc1[C@@H](C)O.
What is the InChIKey of (1R)-1-(4-methyl-2-nonoxyphenyl)ethanol?
The InChIKey is YZNYXSARMZLOCF-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H30O2/c1-4-5-6-7-8-9-10-13-20-18-14-15(2)11-12-17(18)16(3)19/h11-12,14,16,19H,4-10,13H2,1-3H3/t16-/m1/s1.
What are the key properties of (1R)-1-(4-methyl-2-nonoxyphenyl)ethanol?
(1R)-1-(4-methyl-2-nonoxyphenyl)ethanol has a molecular weight of 278.44 g/mol, XLogP of 5.18, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-methyl-2-nonoxyphenyl)ethanol is sourced from PubChem (CID 78947128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).