3-[3-(naphthalen-2-ylmethoxy)phenyl]butane-1,3-diol

C21H22O3 — CID 19761524

IUPAC3-[3-(naphthalen-2-ylmethoxy)phenyl]butane-1,3-diol
SMILESCC(O)(CCO)c1cccc(OCc2ccc3ccccc3c2)c1
InChIInChI=1S/C21H22O3/c1-21(23,11-12-22)19-7-4-8-20(14-19)24-15-16-9-10-17-5-2-3-6-18(17)13-16/h2-10,13-14,22-23H,11-12,15H2,1H3
InChIKeyZPGABLRGKRVNDG-UHFFFAOYSA-N
MW322.40 g/mol
LogP4.01
Rot. Bonds6

About 3-[3-(naphthalen-2-ylmethoxy)phenyl]butane-1,3-diol

3-[3-(naphthalen-2-ylmethoxy)phenyl]butane-1,3-diol (PubChem CID 19761524) has the molecular formula C21H22O3 and a molecular weight of 322.40 g/mol. Its IUPAC name is 3-[3-(naphthalen-2-ylmethoxy)phenyl]butane-1,3-diol.

Molecular Properties

Compound Name3-[3-(naphthalen-2-ylmethoxy)phenyl]butane-1,3-diol
PubChem CID19761524
Molecular FormulaC21H22O3
Molecular Weight322.40 g/mol
Exact Mass322.16
IUPAC Name3-[3-(naphthalen-2-ylmethoxy)phenyl]butane-1,3-diol
SMILESCC(O)(CCO)c1cccc(OCc2ccc3ccccc3c2)c1
InChIInChI=1S/C21H22O3/c1-21(23,11-12-22)19-7-4-8-20(14-19)24-15-16-9-10-17-5-2-3-6-18(17)13-16/h2-10,13-14,22-23H,11-12,15H2,1H3
InChIKeyZPGABLRGKRVNDG-UHFFFAOYSA-N
XLogP4.01
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(naphthalen-2-ylmethoxy)phenyl]pentan-3-ol
CID 22406587
[3-(naphthalen-2-ylmethoxy)phenyl]methanol
CID 15778115
3-methoxy-3-[3-(naphthalen-2-ylmethoxy)phenyl]butanenitrile
CID 19761557
2-(3-phenylmethoxyphenyl)propan-2-ol
CID 13368032
2-methoxy-2-[3-(naphthalen-2-ylmethoxy)phenyl]-2-(1,3-thiazol-2-yl)ethanol
CID 19773121
(2S)-2-(3-ethoxyphenyl)pentan-2-ol
CID 97048517
1-tert-butyl-3-[(4-phenylphenyl)methoxy]benzene
CID 59734480
2-[1-methoxy-1-[3-(naphthalen-2-ylmethoxy)phenyl]propyl]-3H-1,3-thiazole-2-carboxylic acid
CID 19773071
(2R)-2-(3-ethoxyphenyl)butan-2-ol
CID 97048472
3,5-bis(naphthalen-2-ylmethoxy)benzoic acid
CID 170676127
3-methyl-3-(naphthalen-2-ylmethylamino)butan-1-ol
CID 111469119
4-methoxy-4-[3-(naphthalen-2-ylmethoxy)phenyl]cyclohexan-1-ol
CID 19899551

Frequently Asked Questions

What is the IUPAC name of 3-[3-(naphthalen-2-ylmethoxy)phenyl]butane-1,3-diol?
The IUPAC name of 3-[3-(naphthalen-2-ylmethoxy)phenyl]butane-1,3-diol (CID 19761524) is 3-[3-(naphthalen-2-ylmethoxy)phenyl]butane-1,3-diol.
What is the SMILES notation for 3-[3-(naphthalen-2-ylmethoxy)phenyl]butane-1,3-diol?
The canonical SMILES for 3-[3-(naphthalen-2-ylmethoxy)phenyl]butane-1,3-diol is CC(O)(CCO)c1cccc(OCc2ccc3ccccc3c2)c1.
What is the InChIKey of 3-[3-(naphthalen-2-ylmethoxy)phenyl]butane-1,3-diol?
The InChIKey is ZPGABLRGKRVNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O3/c1-21(23,11-12-22)19-7-4-8-20(14-19)24-15-16-9-10-17-5-2-3-6-18(17)13-16/h2-10,13-14,22-23H,11-12,15H2,1H3.
What are the key properties of 3-[3-(naphthalen-2-ylmethoxy)phenyl]butane-1,3-diol?
3-[3-(naphthalen-2-ylmethoxy)phenyl]butane-1,3-diol has a molecular weight of 322.40 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(naphthalen-2-ylmethoxy)phenyl]butane-1,3-diol is sourced from PubChem (CID 19761524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).