3-[3-(naphthalen-2-ylmethoxy)phenyl]pentan-3-ol

C22H24O2 — CID 22406587

IUPAC3-[3-(naphthalen-2-ylmethoxy)phenyl]pentan-3-ol
SMILESCCC(O)(CC)c1cccc(OCc2ccc3ccccc3c2)c1
InChIInChI=1S/C22H24O2/c1-3-22(23,4-2)20-10-7-11-21(15-20)24-16-17-12-13-18-8-5-6-9-19(18)14-17/h5-15,23H,3-4,16H2,1-2H3
InChIKeyIHNVYGAMIWVEOY-UHFFFAOYSA-N
MW320.43 g/mol
LogP5.43
Rot. Bonds6

About 3-[3-(naphthalen-2-ylmethoxy)phenyl]pentan-3-ol

3-[3-(naphthalen-2-ylmethoxy)phenyl]pentan-3-ol (PubChem CID 22406587) has the molecular formula C22H24O2 and a molecular weight of 320.43 g/mol. Its IUPAC name is 3-[3-(naphthalen-2-ylmethoxy)phenyl]pentan-3-ol.

Molecular Properties

Compound Name3-[3-(naphthalen-2-ylmethoxy)phenyl]pentan-3-ol
PubChem CID22406587
Molecular FormulaC22H24O2
Molecular Weight320.43 g/mol
Exact Mass320.18
IUPAC Name3-[3-(naphthalen-2-ylmethoxy)phenyl]pentan-3-ol
SMILESCCC(O)(CC)c1cccc(OCc2ccc3ccccc3c2)c1
InChIInChI=1S/C22H24O2/c1-3-22(23,4-2)20-10-7-11-21(15-20)24-16-17-12-13-18-8-5-6-9-19(18)14-17/h5-15,23H,3-4,16H2,1-2H3
InChIKeyIHNVYGAMIWVEOY-UHFFFAOYSA-N
XLogP5.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.43
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(naphthalen-2-ylmethoxy)phenyl]butane-1,3-diol
CID 19761524
[3-(naphthalen-2-ylmethoxy)phenyl]methanol
CID 15778115
3-methoxy-3-[3-(naphthalen-2-ylmethoxy)phenyl]butanenitrile
CID 19761557
2-[1-methoxy-1-[3-(naphthalen-2-ylmethoxy)phenyl]propyl]-3H-1,3-thiazole-2-carboxylic acid
CID 19773071
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
3-[3-(trifluoromethoxy)phenyl]pentan-3-ol
CID 62917897
3,5-bis(naphthalen-2-ylmethoxy)benzoic acid
CID 170676127
1-tert-butyl-3-[(4-phenylphenyl)methoxy]benzene
CID 59734480
ethyl 2-methyl-2-[3-[(1-methyl-2-oxoquinolin-6-yl)methoxy]phenyl]butanoate
CID 67826098
2-(ethoxymethyl)naphthalene
CID 11063138
1-(naphthalen-2-ylmethoxy)naphthalene
CID 132511538

Frequently Asked Questions

What is the IUPAC name of 3-[3-(naphthalen-2-ylmethoxy)phenyl]pentan-3-ol?
The IUPAC name of 3-[3-(naphthalen-2-ylmethoxy)phenyl]pentan-3-ol (CID 22406587) is 3-[3-(naphthalen-2-ylmethoxy)phenyl]pentan-3-ol.
What is the SMILES notation for 3-[3-(naphthalen-2-ylmethoxy)phenyl]pentan-3-ol?
The canonical SMILES for 3-[3-(naphthalen-2-ylmethoxy)phenyl]pentan-3-ol is CCC(O)(CC)c1cccc(OCc2ccc3ccccc3c2)c1.
What is the InChIKey of 3-[3-(naphthalen-2-ylmethoxy)phenyl]pentan-3-ol?
The InChIKey is IHNVYGAMIWVEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O2/c1-3-22(23,4-2)20-10-7-11-21(15-20)24-16-17-12-13-18-8-5-6-9-19(18)14-17/h5-15,23H,3-4,16H2,1-2H3.
What are the key properties of 3-[3-(naphthalen-2-ylmethoxy)phenyl]pentan-3-ol?
3-[3-(naphthalen-2-ylmethoxy)phenyl]pentan-3-ol has a molecular weight of 320.43 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(naphthalen-2-ylmethoxy)phenyl]pentan-3-ol is sourced from PubChem (CID 22406587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).