1-(4-methoxyphenyl)nonan-2-ol

C16H26O2 — CID 62608606

IUPAC1-(4-methoxyphenyl)nonan-2-ol
SMILESCCCCCCCC(O)Cc1ccc(OC)cc1
InChIInChI=1S/C16H26O2/c1-3-4-5-6-7-8-15(17)13-14-9-11-16(18-2)12-10-14/h9-12,15,17H,3-8,13H2,1-2H3
InChIKeySWAUBNXVWIOQJE-UHFFFAOYSA-N
MW250.38 g/mol
LogP3.96
Rot. Bonds9

About 1-(4-methoxyphenyl)nonan-2-ol

1-(4-methoxyphenyl)nonan-2-ol (PubChem CID 62608606) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)nonan-2-ol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)nonan-2-ol
PubChem CID62608606
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name1-(4-methoxyphenyl)nonan-2-ol
SMILESCCCCCCCC(O)Cc1ccc(OC)cc1
InChIInChI=1S/C16H26O2/c1-3-4-5-6-7-8-15(17)13-14-9-11-16(18-2)12-10-14/h9-12,15,17H,3-8,13H2,1-2H3
InChIKeySWAUBNXVWIOQJE-UHFFFAOYSA-N
XLogP3.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.96
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

1-(4-methoxyphenyl)hexan-2-ol
CID 62608607
1-(4-methoxyphenyl)pentan-2-ol
CID 61375325
1-(4-methoxyphenyl)nonan-3-ol
CID 65444716
9-hydroxy-10-(4-methoxyphenyl)decan-5-one
CID 101095744
(3R,5R)-1-(4-methoxyphenyl)undecane-3,5-diol
CID 154712075
1-(4-methoxyphenyl)heptan-2-amine
CID 61079044
1-(4-methylphenyl)octan-2-ol
CID 62607878
1-(2-chlorooctyl)-4-methoxybenzene
CID 114753869
1-(4-methoxyphenoxy)tetradecan-2-ol
CID 59993706
1-(4-methoxyphenyl)-N-methyldecan-2-amine
CID 63416962
2-[(4-methoxyphenyl)methyl]heptan-1-ol
CID 66060559
3-[(4-methoxyphenyl)methyl]hexadecan-2-one
CID 70021103

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)nonan-2-ol?
The IUPAC name of 1-(4-methoxyphenyl)nonan-2-ol (CID 62608606) is 1-(4-methoxyphenyl)nonan-2-ol.
What is the SMILES notation for 1-(4-methoxyphenyl)nonan-2-ol?
The canonical SMILES for 1-(4-methoxyphenyl)nonan-2-ol is CCCCCCCC(O)Cc1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)nonan-2-ol?
The InChIKey is SWAUBNXVWIOQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-3-4-5-6-7-8-15(17)13-14-9-11-16(18-2)12-10-14/h9-12,15,17H,3-8,13H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)nonan-2-ol?
1-(4-methoxyphenyl)nonan-2-ol has a molecular weight of 250.38 g/mol, XLogP of 3.96, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)nonan-2-ol is sourced from PubChem (CID 62608606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).