4-(2-methoxynaphthalen-1-yl)butane-1,2-diol

C15H18O3 — CID 82185801

IUPAC4-(2-methoxynaphthalen-1-yl)butane-1,2-diol
SMILESCOc1ccc2ccccc2c1CCC(O)CO
InChIInChI=1S/C15H18O3/c1-18-15-9-6-11-4-2-3-5-13(11)14(15)8-7-12(17)10-16/h2-6,9,12,16-17H,7-8,10H2,1H3
InChIKeyJFIBICHPTSMCFG-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.13
Rot. Bonds5

About 4-(2-methoxynaphthalen-1-yl)butane-1,2-diol

4-(2-methoxynaphthalen-1-yl)butane-1,2-diol (PubChem CID 82185801) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-(2-methoxynaphthalen-1-yl)butane-1,2-diol.

Molecular Properties

Compound Name4-(2-methoxynaphthalen-1-yl)butane-1,2-diol
PubChem CID82185801
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name4-(2-methoxynaphthalen-1-yl)butane-1,2-diol
SMILESCOc1ccc2ccccc2c1CCC(O)CO
InChIInChI=1S/C15H18O3/c1-18-15-9-6-11-4-2-3-5-13(11)14(15)8-7-12(17)10-16/h2-6,9,12,16-17H,7-8,10H2,1H3
InChIKeyJFIBICHPTSMCFG-UHFFFAOYSA-N
XLogP2.13
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(2-methoxynaphthalen-1-yl)propan-2-ol
CID 92532795
3-(2-methoxynaphthalen-1-yl)-N,N-dimethylpropan-1-amine
CID 170865305
2-[(2-methoxynaphthalen-1-yl)methylamino]butan-1-ol
CID 3160564
2-hydroxyethyl-[(2-methoxynaphthalen-1-yl)methyl]azanium
CID 7322221
N-[2-(2-methoxynaphthalen-1-yl)ethyl]-2-methylpropan-1-amine
CID 64867903
1-(2-methoxynaphthalen-1-yl)-4-methylpentan-1-ol
CID 65146073
2-[3-(2-methoxynaphthalen-1-yl)propanoylamino]propanedioic acid
CID 67611600
2-methoxy-1,6-bis[(2-methoxynaphthalen-1-yl)methyl]naphthalene
CID 139095345
(2S)-1-methoxy-N-[2-(2-methoxynaphthalen-1-yl)ethyl]propan-2-amine
CID 95127622
2,2,2-trifluoro-N-[2-(2-methoxynaphthalen-1-yl)ethyl]acetamide
CID 11779359
1-[2-[(2-methoxynaphthalen-1-yl)methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17295794
(2-methoxyanthracen-1-yl)methanol
CID 102344428

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxynaphthalen-1-yl)butane-1,2-diol?
The IUPAC name of 4-(2-methoxynaphthalen-1-yl)butane-1,2-diol (CID 82185801) is 4-(2-methoxynaphthalen-1-yl)butane-1,2-diol.
What is the SMILES notation for 4-(2-methoxynaphthalen-1-yl)butane-1,2-diol?
The canonical SMILES for 4-(2-methoxynaphthalen-1-yl)butane-1,2-diol is COc1ccc2ccccc2c1CCC(O)CO.
What is the InChIKey of 4-(2-methoxynaphthalen-1-yl)butane-1,2-diol?
The InChIKey is JFIBICHPTSMCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-18-15-9-6-11-4-2-3-5-13(11)14(15)8-7-12(17)10-16/h2-6,9,12,16-17H,7-8,10H2,1H3.
What are the key properties of 4-(2-methoxynaphthalen-1-yl)butane-1,2-diol?
4-(2-methoxynaphthalen-1-yl)butane-1,2-diol has a molecular weight of 246.31 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxynaphthalen-1-yl)butane-1,2-diol is sourced from PubChem (CID 82185801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).