2-[3-(oxolan-2-yl)propyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid

C18H24O3 — CID 65407586

IUPAC2-[3-(oxolan-2-yl)propyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESO=C(O)C1(CCCC2CCCO2)CCc2ccccc2C1
InChIInChI=1S/C18H24O3/c19-17(20)18(10-3-7-16-8-4-12-21-16)11-9-14-5-1-2-6-15(14)13-18/h1-2,5-6,16H,3-4,7-13H2,(H,19,20)
InChIKeyGOTYCRNGLIOPPD-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.60
Rot. Bonds5

About 2-[3-(oxolan-2-yl)propyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid

2-[3-(oxolan-2-yl)propyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid (PubChem CID 65407586) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[3-(oxolan-2-yl)propyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name2-[3-(oxolan-2-yl)propyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid
PubChem CID65407586
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Name2-[3-(oxolan-2-yl)propyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESO=C(O)C1(CCCC2CCCO2)CCc2ccccc2C1
InChIInChI=1S/C18H24O3/c19-17(20)18(10-3-7-16-8-4-12-21-16)11-9-14-5-1-2-6-15(14)13-18/h1-2,5-6,16H,3-4,7-13H2,(H,19,20)
InChIKeyGOTYCRNGLIOPPD-UHFFFAOYSA-N
XLogP3.60
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(oxolan-2-yl)propyl]piperidine-3-carboxylic acid
CID 65162206
3-methyl-1-[3-(oxolan-2-yl)propyl]cyclohexane-1-carboxylic acid
CID 65395527
2-(4-methoxybutyl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 104650574
3-ethyl-1-[3-(oxolan-2-yl)propyl]cyclopentane-1-carboxylic acid
CID 65409462
4-(oxolan-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)butan-1-one
CID 65408979
1-(oxolan-2-ylmethylamino)-2,3-dihydroindene-1-carboxylic acid
CID 60992597
4-(oxolan-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-one
CID 65167319
2-(2-methylphenyl)-5-(oxolan-2-yl)pentanoic acid
CID 79421580
3-benzyl-3-[3-(oxolan-2-yl)propyl]azetidine
CID 79452012
2-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 79558584
4-(oxolan-2-yl)-1-(1-phenylcyclopropyl)butan-1-ol
CID 65167277
2-octyl-1,3-dihydroindene-2-carboxylic acid
CID 65406419

Frequently Asked Questions

What is the IUPAC name of 2-[3-(oxolan-2-yl)propyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The IUPAC name of 2-[3-(oxolan-2-yl)propyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid (CID 65407586) is 2-[3-(oxolan-2-yl)propyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid.
What is the SMILES notation for 2-[3-(oxolan-2-yl)propyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The canonical SMILES for 2-[3-(oxolan-2-yl)propyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid is O=C(O)C1(CCCC2CCCO2)CCc2ccccc2C1.
What is the InChIKey of 2-[3-(oxolan-2-yl)propyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The InChIKey is GOTYCRNGLIOPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O3/c19-17(20)18(10-3-7-16-8-4-12-21-16)11-9-14-5-1-2-6-15(14)13-18/h1-2,5-6,16H,3-4,7-13H2,(H,19,20).
What are the key properties of 2-[3-(oxolan-2-yl)propyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
2-[3-(oxolan-2-yl)propyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid has a molecular weight of 288.39 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(oxolan-2-yl)propyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid is sourced from PubChem (CID 65407586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).