methyl 4-[hydroxy(naphthalen-1-yl)methyl]benzoate

C19H16O3 — CID 46217309

IUPACmethyl 4-[hydroxy(naphthalen-1-yl)methyl]benzoate
SMILESCOC(=O)c1ccc(C(O)c2cccc3ccccc23)cc1
InChIInChI=1S/C19H16O3/c1-22-19(21)15-11-9-14(10-12-15)18(20)17-8-4-6-13-5-2-3-7-16(13)17/h2-12,18,20H,1H3
InChIKeyXDHONGOZIKCHJZ-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.71
Rot. Bonds3

About methyl 4-[hydroxy(naphthalen-1-yl)methyl]benzoate

methyl 4-[hydroxy(naphthalen-1-yl)methyl]benzoate (PubChem CID 46217309) has the molecular formula C19H16O3 and a molecular weight of 292.33 g/mol. Its IUPAC name is methyl 4-[hydroxy(naphthalen-1-yl)methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[hydroxy(naphthalen-1-yl)methyl]benzoate
PubChem CID46217309
Molecular FormulaC19H16O3
Molecular Weight292.33 g/mol
Exact Mass292.11
IUPAC Namemethyl 4-[hydroxy(naphthalen-1-yl)methyl]benzoate
SMILESCOC(=O)c1ccc(C(O)c2cccc3ccccc23)cc1
InChIInChI=1S/C19H16O3/c1-22-19(21)15-11-9-14(10-12-15)18(20)17-8-4-6-13-5-2-3-7-16(13)17/h2-12,18,20H,1H3
InChIKeyXDHONGOZIKCHJZ-UHFFFAOYSA-N
XLogP3.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-(4-chlorophenyl)-naphthalen-1-ylmethanol
CID 93489560
methyl 4-(naphthalen-1-ylsulfanylmethyl)benzoate
CID 126179692
(3-fluoro-4-methoxyphenyl)-naphthalen-1-ylmethanol
CID 61080907
[(1R)-2-methoxy-1-naphthalen-1-yl-2-oxoethyl]azanium
CID 7315729
methyl 4-[hydroxy-[2-[(2-methoxybenzoyl)amino]phenyl]methyl]benzoate
CID 71596281
(4-methoxy-3-nitrophenyl)-naphthalen-1-ylmethanol
CID 91678597
methyl 2-hydroxy-3-naphthalen-1-ylbutanoate
CID 66289635
methyl 4-[2-(2-chlorophenyl)-2-hydroxyethyl]benzoate
CID 67666844
methyl (2S,3S)-3-hydroxy-3-naphthalen-1-yl-2-phenylpropanoate
CID 10852177
methyl (2S)-2-amino-2-naphthalen-1-ylacetate;hydrochloride
CID 171212058
methyl 4-[hydroxy-[4-(methylperoxymethyl)phenyl]methyl]benzoate
CID 89207897
methyl 4-[(1S)-2-amino-1-hydroxyethyl]benzoate
CID 94590796

Frequently Asked Questions

What is the IUPAC name of methyl 4-[hydroxy(naphthalen-1-yl)methyl]benzoate?
The IUPAC name of methyl 4-[hydroxy(naphthalen-1-yl)methyl]benzoate (CID 46217309) is methyl 4-[hydroxy(naphthalen-1-yl)methyl]benzoate.
What is the SMILES notation for methyl 4-[hydroxy(naphthalen-1-yl)methyl]benzoate?
The canonical SMILES for methyl 4-[hydroxy(naphthalen-1-yl)methyl]benzoate is COC(=O)c1ccc(C(O)c2cccc3ccccc23)cc1.
What is the InChIKey of methyl 4-[hydroxy(naphthalen-1-yl)methyl]benzoate?
The InChIKey is XDHONGOZIKCHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O3/c1-22-19(21)15-11-9-14(10-12-15)18(20)17-8-4-6-13-5-2-3-7-16(13)17/h2-12,18,20H,1H3.
What are the key properties of methyl 4-[hydroxy(naphthalen-1-yl)methyl]benzoate?
methyl 4-[hydroxy(naphthalen-1-yl)methyl]benzoate has a molecular weight of 292.33 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[hydroxy(naphthalen-1-yl)methyl]benzoate is sourced from PubChem (CID 46217309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).