2-hydroxyethyl 2-methyl-4-naphthalen-2-ylhexanoate

C19H24O3 — CID 162466314

IUPAC2-hydroxyethyl 2-methyl-4-naphthalen-2-ylhexanoate
SMILESCCC(CC(C)C(=O)OCCO)c1ccc2ccccc2c1
InChIInChI=1S/C19H24O3/c1-3-15(12-14(2)19(21)22-11-10-20)18-9-8-16-6-4-5-7-17(16)13-18/h4-9,13-15,20H,3,10-12H2,1-2H3
InChIKeyHLZMHDJQQPJWPU-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.90
Rot. Bonds7

About 2-hydroxyethyl 2-methyl-4-naphthalen-2-ylhexanoate

2-hydroxyethyl 2-methyl-4-naphthalen-2-ylhexanoate (PubChem CID 162466314) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-hydroxyethyl 2-methyl-4-naphthalen-2-ylhexanoate.

Molecular Properties

Compound Name2-hydroxyethyl 2-methyl-4-naphthalen-2-ylhexanoate
PubChem CID162466314
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Name2-hydroxyethyl 2-methyl-4-naphthalen-2-ylhexanoate
SMILESCCC(CC(C)C(=O)OCCO)c1ccc2ccccc2c1
InChIInChI=1S/C19H24O3/c1-3-15(12-14(2)19(21)22-11-10-20)18-9-8-16-6-4-5-7-17(16)13-18/h4-9,13-15,20H,3,10-12H2,1-2H3
InChIKeyHLZMHDJQQPJWPU-UHFFFAOYSA-N
XLogP3.90
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxyethyl 2-ethyl-4-naphthalen-2-ylpentanoate;methane
CID 160827307
4-hydroxybutyl 4-(4-methoxyphenyl)-2-methylhexanoate
CID 23522371
butyl 2-methyl-3-naphthalen-2-ylpropanoate
CID 102047735
diethyl 2,3-dinaphthalen-2-ylbutanedioate
CID 611707
2-[2-(2-methylbutanoyloxy)ethoxy]ethyl naphthalene-2-carboxylate
CID 23531659
2-methyl-1-naphthalen-2-ylbutan-1-amine
CID 63718165
3-[(2-methylpropan-2-yl)oxycarbonyl]-5-naphthalen-2-yl-2-[1-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)-1-oxopropan-2-yl]heptanoic acid
CID 59812430
2-naphthalen-2-ylbutanoic acid
CID 27266
[(1R)-1-naphthalen-2-ylpropyl] acetate
CID 58079221
methyl 2-[amino(naphthalen-2-yl)methyl]butanoate
CID 116946047
2-amino-3-methyl-N-(1-naphthalen-2-ylethyl)pentanamide
CID 119685967
(2R,4R)-2-methyl-4-phenylhexanoic acid
CID 134848322

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-methyl-4-naphthalen-2-ylhexanoate?
The IUPAC name of 2-hydroxyethyl 2-methyl-4-naphthalen-2-ylhexanoate (CID 162466314) is 2-hydroxyethyl 2-methyl-4-naphthalen-2-ylhexanoate.
What is the SMILES notation for 2-hydroxyethyl 2-methyl-4-naphthalen-2-ylhexanoate?
The canonical SMILES for 2-hydroxyethyl 2-methyl-4-naphthalen-2-ylhexanoate is CCC(CC(C)C(=O)OCCO)c1ccc2ccccc2c1.
What is the InChIKey of 2-hydroxyethyl 2-methyl-4-naphthalen-2-ylhexanoate?
The InChIKey is HLZMHDJQQPJWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O3/c1-3-15(12-14(2)19(21)22-11-10-20)18-9-8-16-6-4-5-7-17(16)13-18/h4-9,13-15,20H,3,10-12H2,1-2H3.
What are the key properties of 2-hydroxyethyl 2-methyl-4-naphthalen-2-ylhexanoate?
2-hydroxyethyl 2-methyl-4-naphthalen-2-ylhexanoate has a molecular weight of 300.40 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-methyl-4-naphthalen-2-ylhexanoate is sourced from PubChem (CID 162466314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).