nonoxy(phenyl)methanol

C16H26O2 — CID 70405769

IUPACnonoxy(phenyl)methanol
SMILESCCCCCCCCCOC(O)c1ccccc1
InChIInChI=1S/C16H26O2/c1-2-3-4-5-6-7-11-14-18-16(17)15-12-9-8-10-13-15/h8-10,12-13,16-17H,2-7,11,14H2,1H3
InChIKeyVIJBMKDMIGBLTO-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.44
Rot. Bonds10

About nonoxy(phenyl)methanol

nonoxy(phenyl)methanol (PubChem CID 70405769) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is nonoxy(phenyl)methanol.

Molecular Properties

Compound Namenonoxy(phenyl)methanol
PubChem CID70405769
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Namenonoxy(phenyl)methanol
SMILESCCCCCCCCCOC(O)c1ccccc1
InChIInChI=1S/C16H26O2/c1-2-3-4-5-6-7-11-14-18-16(17)15-12-9-8-10-13-15/h8-10,12-13,16-17H,2-7,11,14H2,1H3
InChIKeyVIJBMKDMIGBLTO-UHFFFAOYSA-N
XLogP4.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

octadecoxy(phenyl)methanol
CID 141167921
(1,2-dihexoxy-2-phenylethyl)benzene
CID 14092843
didecoxymethylbenzene
CID 150039155
1-dodecoxyhexylbenzene
CID 174774790
hydroxy-di(nonoxy)-phenylphosphanium
CID 172838526
didecoxy-hydroxy-phenylphosphanium
CID 70413003
1-pentoxypropylbenzene
CID 57033372
(2-methyl-1-pentadecoxyprop-2-enyl)benzene
CID 139672728
1-pentoxyethylbenzene;hydrate
CID 174634303
1-pentoxybutylbenzene
CID 173061669
[chloro(pentoxy)methyl]benzene
CID 141305175
5-[hydroxy(octoxy)methyl]benzene-1,2,3-triol
CID 146666211

Frequently Asked Questions

What is the IUPAC name of nonoxy(phenyl)methanol?
The IUPAC name of nonoxy(phenyl)methanol (CID 70405769) is nonoxy(phenyl)methanol.
What is the SMILES notation for nonoxy(phenyl)methanol?
The canonical SMILES for nonoxy(phenyl)methanol is CCCCCCCCCOC(O)c1ccccc1.
What is the InChIKey of nonoxy(phenyl)methanol?
The InChIKey is VIJBMKDMIGBLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-2-3-4-5-6-7-11-14-18-16(17)15-12-9-8-10-13-15/h8-10,12-13,16-17H,2-7,11,14H2,1H3.
What are the key properties of nonoxy(phenyl)methanol?
nonoxy(phenyl)methanol has a molecular weight of 250.38 g/mol, XLogP of 4.44, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nonoxy(phenyl)methanol is sourced from PubChem (CID 70405769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).