1-(6-hydroxynaphthalen-2-yl)butane-2,3-diol

C14H16O3 — CID 118753585

IUPAC1-(6-hydroxynaphthalen-2-yl)butane-2,3-diol
SMILESCC(O)C(O)Cc1ccc2cc(O)ccc2c1
InChIInChI=1S/C14H16O3/c1-9(15)14(17)7-10-2-3-12-8-13(16)5-4-11(12)6-10/h2-6,8-9,14-17H,7H2,1H3
InChIKeyVURKJRPIIZIBLT-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.83
Rot. Bonds3

About 1-(6-hydroxynaphthalen-2-yl)butane-2,3-diol

1-(6-hydroxynaphthalen-2-yl)butane-2,3-diol (PubChem CID 118753585) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-(6-hydroxynaphthalen-2-yl)butane-2,3-diol.

Molecular Properties

Compound Name1-(6-hydroxynaphthalen-2-yl)butane-2,3-diol
PubChem CID118753585
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name1-(6-hydroxynaphthalen-2-yl)butane-2,3-diol
SMILESCC(O)C(O)Cc1ccc2cc(O)ccc2c1
InChIInChI=1S/C14H16O3/c1-9(15)14(17)7-10-2-3-12-8-13(16)5-4-11(12)6-10/h2-6,8-9,14-17H,7H2,1H3
InChIKeyVURKJRPIIZIBLT-UHFFFAOYSA-N
XLogP1.83
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-hydroxypropyl)naphthalen-2-ol
CID 19933724
3-(6-hydroxynaphthalen-2-yl)-2-methylpropanoic acid
CID 174589043
1-(4-hydroxy-3-methoxyphenyl)butane-2,3-diol
CID 71398900
methyl 2-amino-3-(6-hydroxynaphthalen-2-yl)propanoate;hydrochloride
CID 54768230
ethane;6-propylnaphthalen-2-ol
CID 171088500
2-methyl-3-naphthalen-2-ylpropane-1,1-diol
CID 20647932
N-[2-(6-hydroxynaphthalen-2-yl)ethyl]methanesulfinamide
CID 142191218
bis(1,4-diethylbenzene);tris(naphthalen-2-ol)
CID 90749949
ethane;4-(1-naphthalen-2-ylpropan-2-ylamino)phenol
CID 145300140
3-[3-(4-hydroxyphenyl)-2-methylpropyl]naphthalene-1,6-diol
CID 152928939
sodium;hydride;naphthalene-2,6-diol
CID 174639769
5-(2-hydroxy-3-methylbutyl)-2-methylphenol
CID 129174198

Frequently Asked Questions

What is the IUPAC name of 1-(6-hydroxynaphthalen-2-yl)butane-2,3-diol?
The IUPAC name of 1-(6-hydroxynaphthalen-2-yl)butane-2,3-diol (CID 118753585) is 1-(6-hydroxynaphthalen-2-yl)butane-2,3-diol.
What is the SMILES notation for 1-(6-hydroxynaphthalen-2-yl)butane-2,3-diol?
The canonical SMILES for 1-(6-hydroxynaphthalen-2-yl)butane-2,3-diol is CC(O)C(O)Cc1ccc2cc(O)ccc2c1.
What is the InChIKey of 1-(6-hydroxynaphthalen-2-yl)butane-2,3-diol?
The InChIKey is VURKJRPIIZIBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-9(15)14(17)7-10-2-3-12-8-13(16)5-4-11(12)6-10/h2-6,8-9,14-17H,7H2,1H3.
What are the key properties of 1-(6-hydroxynaphthalen-2-yl)butane-2,3-diol?
1-(6-hydroxynaphthalen-2-yl)butane-2,3-diol has a molecular weight of 232.28 g/mol, XLogP of 1.83, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-hydroxynaphthalen-2-yl)butane-2,3-diol is sourced from PubChem (CID 118753585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).