1-anthracen-2-ylbutan-2-ol

C18H18O — CID 141488114

IUPAC1-anthracen-2-ylbutan-2-ol
SMILESCCC(O)Cc1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C18H18O/c1-2-18(19)10-13-7-8-16-11-14-5-3-4-6-15(14)12-17(16)9-13/h3-9,11-12,18-19H,2,10H2,1H3
InChIKeyMKJAKDMBIBJSKK-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.31
Rot. Bonds3

About 1-anthracen-2-ylbutan-2-ol

1-anthracen-2-ylbutan-2-ol (PubChem CID 141488114) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-anthracen-2-ylbutan-2-ol.

Molecular Properties

Compound Name1-anthracen-2-ylbutan-2-ol
PubChem CID141488114
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name1-anthracen-2-ylbutan-2-ol
SMILESCCC(O)Cc1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C18H18O/c1-2-18(19)10-13-7-8-16-11-14-5-3-4-6-15(14)12-17(16)9-13/h3-9,11-12,18-19H,2,10H2,1H3
InChIKeyMKJAKDMBIBJSKK-UHFFFAOYSA-N
XLogP4.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-(6-methoxynaphthalen-2-yl)butan-2-ol
CID 67660924
1-methoxy-3-naphthalen-2-ylpropan-2-ol
CID 105112115
1-(3-fluorophenyl)-3-naphthalen-2-ylpropan-2-ol
CID 105079027
2-(naphthalen-2-ylmethyl)butanoic acid
CID 77427365
4-ethyl-1-naphthalen-2-yloctan-2-ol
CID 105080592
(1S)-2-naphthalen-2-yl-1-phenylethanol
CID 101378142
1-naphthalen-2-yl-3-propan-2-yloxypropan-2-ol
CID 105114348
2-methyl-3-naphthalen-2-ylpropane-1,1-diol
CID 20647932
2-(2-chlorobutyl)naphthalene
CID 21490588
4-[(2S)-2-hydroxybutyl]benzene-1,2-diol
CID 130427556
1-(3-ethylphenyl)butan-2-ol
CID 91658604
1-(3-chlorophenyl)-3-naphthalen-2-ylpropan-2-ol
CID 105076762

Frequently Asked Questions

What is the IUPAC name of 1-anthracen-2-ylbutan-2-ol?
The IUPAC name of 1-anthracen-2-ylbutan-2-ol (CID 141488114) is 1-anthracen-2-ylbutan-2-ol.
What is the SMILES notation for 1-anthracen-2-ylbutan-2-ol?
The canonical SMILES for 1-anthracen-2-ylbutan-2-ol is CCC(O)Cc1ccc2cc3ccccc3cc2c1.
What is the InChIKey of 1-anthracen-2-ylbutan-2-ol?
The InChIKey is MKJAKDMBIBJSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O/c1-2-18(19)10-13-7-8-16-11-14-5-3-4-6-15(14)12-17(16)9-13/h3-9,11-12,18-19H,2,10H2,1H3.
What are the key properties of 1-anthracen-2-ylbutan-2-ol?
1-anthracen-2-ylbutan-2-ol has a molecular weight of 250.34 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anthracen-2-ylbutan-2-ol is sourced from PubChem (CID 141488114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).