[4-(hydroxymethyl)cyclohexyl]methyl naphthalene-1-carboxylate

C19H22O3 — CID 154360218

IUPAC[4-(hydroxymethyl)cyclohexyl]methyl naphthalene-1-carboxylate
SMILESO=C(OCC1CCC(CO)CC1)c1cccc2ccccc12
InChIInChI=1S/C19H22O3/c20-12-14-8-10-15(11-9-14)13-22-19(21)18-7-3-5-16-4-1-2-6-17(16)18/h1-7,14-15,20H,8-13H2
InChIKeyABCUSUFUQBYEJX-UHFFFAOYSA-N
MW298.38 g/mol
LogP3.80
Rot. Bonds4

About [4-(hydroxymethyl)cyclohexyl]methyl naphthalene-1-carboxylate

[4-(hydroxymethyl)cyclohexyl]methyl naphthalene-1-carboxylate (PubChem CID 154360218) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is [4-(hydroxymethyl)cyclohexyl]methyl naphthalene-1-carboxylate.

Molecular Properties

Compound Name[4-(hydroxymethyl)cyclohexyl]methyl naphthalene-1-carboxylate
PubChem CID154360218
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name[4-(hydroxymethyl)cyclohexyl]methyl naphthalene-1-carboxylate
SMILESO=C(OCC1CCC(CO)CC1)c1cccc2ccccc12
InChIInChI=1S/C19H22O3/c20-12-14-8-10-15(11-9-14)13-22-19(21)18-7-3-5-16-4-1-2-6-17(16)18/h1-7,14-15,20H,8-13H2
InChIKeyABCUSUFUQBYEJX-UHFFFAOYSA-N
XLogP3.80
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

piperidin-4-ylmethyl naphthalene-1-carboxylate;hydrochloride
CID 68534065
cyclopropylmethyl 4-fluoronaphthalene-1-carboxylate
CID 114088299
[4-[(2-methylbenzoyl)oxymethyl]cyclohexyl]methyl 2-methylbenzoate
CID 18407926
bis[[4-(hydroxymethyl)cyclohexyl]methyl] naphthalene-2,6-dicarboxylate
CID 54489538
[(2R,3R,4S,5R,6R)-6-bromo-3,4,5-tris(naphthalene-1-carbonyloxy)oxan-2-yl]methyl naphthalene-1-carboxylate
CID 10996510
[4-(naphthalene-2-carbonyloxymethyl)cyclohexyl]methyl naphthalene-2-carboxylate
CID 59172646
sodium;hydride;3-hydroxypropyl naphthalene-1-carboxylate
CID 174690004
cyanomethyl naphthalene-1-carboxylate
CID 2477503
3-phenoxypropyl naphthalene-1-carboxylate
CID 71029614
bromo naphthalene-1-carboxylate
CID 68796403
2-methylprop-2-enyl naphthalene-1-carboxylate
CID 22594823
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)cyclohexyl]methyl naphthalene-1-carboxylate?
The IUPAC name of [4-(hydroxymethyl)cyclohexyl]methyl naphthalene-1-carboxylate (CID 154360218) is [4-(hydroxymethyl)cyclohexyl]methyl naphthalene-1-carboxylate.
What is the SMILES notation for [4-(hydroxymethyl)cyclohexyl]methyl naphthalene-1-carboxylate?
The canonical SMILES for [4-(hydroxymethyl)cyclohexyl]methyl naphthalene-1-carboxylate is O=C(OCC1CCC(CO)CC1)c1cccc2ccccc12.
What is the InChIKey of [4-(hydroxymethyl)cyclohexyl]methyl naphthalene-1-carboxylate?
The InChIKey is ABCUSUFUQBYEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c20-12-14-8-10-15(11-9-14)13-22-19(21)18-7-3-5-16-4-1-2-6-17(16)18/h1-7,14-15,20H,8-13H2.
What are the key properties of [4-(hydroxymethyl)cyclohexyl]methyl naphthalene-1-carboxylate?
[4-(hydroxymethyl)cyclohexyl]methyl naphthalene-1-carboxylate has a molecular weight of 298.38 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)cyclohexyl]methyl naphthalene-1-carboxylate is sourced from PubChem (CID 154360218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).