6-naphthalen-2-ylhexan-2-ol

C16H20O — CID 19933710

IUPAC6-naphthalen-2-ylhexan-2-ol
SMILESCC(O)CCCCc1ccc2ccccc2c1
InChIInChI=1S/C16H20O/c1-13(17)6-2-3-7-14-10-11-15-8-4-5-9-16(15)12-14/h4-5,8-13,17H,2-3,6-7H2,1H3
InChIKeyFKLQECZKZSZVKQ-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.93
Rot. Bonds5

About 6-naphthalen-2-ylhexan-2-ol

6-naphthalen-2-ylhexan-2-ol (PubChem CID 19933710) has the molecular formula C16H20O and a molecular weight of 228.34 g/mol. Its IUPAC name is 6-naphthalen-2-ylhexan-2-ol.

Molecular Properties

Compound Name6-naphthalen-2-ylhexan-2-ol
PubChem CID19933710
Molecular FormulaC16H20O
Molecular Weight228.34 g/mol
Exact Mass228.15
IUPAC Name6-naphthalen-2-ylhexan-2-ol
SMILESCC(O)CCCCc1ccc2ccccc2c1
InChIInChI=1S/C16H20O/c1-13(17)6-2-3-7-14-10-11-15-8-4-5-9-16(15)12-14/h4-5,8-13,17H,2-3,6-7H2,1H3
InChIKeyFKLQECZKZSZVKQ-UHFFFAOYSA-N
XLogP3.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(11-naphthalen-2-ylundecyl)naphthalene
CID 86035863
2-(5,5-difluoropentyl)naphthalene
CID 68979271
ethane;2-hexylnaphthalene
CID 142191207
2-(3-iodobutyl)naphthalene
CID 162353144
(2R)-4-naphthalen-2-ylbutan-2-amine
CID 131577314
(1R)-3-naphthalen-2-yl-1-phenylpropan-1-ol
CID 171482397
7-(4-anilinophenyl)heptan-2-ol
CID 101298242
15-(4-anilinophenyl)pentadecan-2-ol
CID 101298326
10-(4-anilinophenyl)decan-2-ol
CID 101298266
2-methyl-3-naphthalen-2-ylpropane-1,1-diol
CID 20647932
2-octylanthracene
CID 23131226
2-pentylnaphthalene;prop-1-ene
CID 173098363

Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-2-ylhexan-2-ol?
The IUPAC name of 6-naphthalen-2-ylhexan-2-ol (CID 19933710) is 6-naphthalen-2-ylhexan-2-ol.
What is the SMILES notation for 6-naphthalen-2-ylhexan-2-ol?
The canonical SMILES for 6-naphthalen-2-ylhexan-2-ol is CC(O)CCCCc1ccc2ccccc2c1.
What is the InChIKey of 6-naphthalen-2-ylhexan-2-ol?
The InChIKey is FKLQECZKZSZVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O/c1-13(17)6-2-3-7-14-10-11-15-8-4-5-9-16(15)12-14/h4-5,8-13,17H,2-3,6-7H2,1H3.
What are the key properties of 6-naphthalen-2-ylhexan-2-ol?
6-naphthalen-2-ylhexan-2-ol has a molecular weight of 228.34 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-2-ylhexan-2-ol is sourced from PubChem (CID 19933710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).