2-(oxan-4-yl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid

C16H20O3 — CID 79429640

IUPAC2-(oxan-4-yl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESO=C(O)C1(C2CCOCC2)CCc2ccccc2C1
InChIInChI=1S/C16H20O3/c17-15(18)16(14-6-9-19-10-7-14)8-5-12-3-1-2-4-13(12)11-16/h1-4,14H,5-11H2,(H,17,18)
InChIKeyNJCRHJGWJHXZDC-UHFFFAOYSA-N
MW260.33 g/mol
LogP2.67
Rot. Bonds2

About 2-(oxan-4-yl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid

2-(oxan-4-yl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid (PubChem CID 79429640) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-(oxan-4-yl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name2-(oxan-4-yl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
PubChem CID79429640
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name2-(oxan-4-yl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESO=C(O)C1(C2CCOCC2)CCc2ccccc2C1
InChIInChI=1S/C16H20O3/c17-15(18)16(14-6-9-19-10-7-14)8-5-12-3-1-2-4-13(12)11-16/h1-4,14H,5-11H2,(H,17,18)
InChIKeyNJCRHJGWJHXZDC-UHFFFAOYSA-N
XLogP2.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(oxolan-3-yl)-1,3-dihydroindene-2-carboxylic acid
CID 79429170
7-cycloheptyl-5,6,8,9-tetrahydrobenzo[7]annulene-7-carboxylic acid
CID 163469121
2-(cyclopropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 60795603
(2S)-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 95566858
2-(oxolan-3-yl)-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 114277474
(2S)-N-[(2R)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-2-(oxan-4-yl)propanamide
CID 97243784
4-(oxan-4-yl)-2,3-dihydrochromene-4-carboxylic acid
CID 79429724
2-amino-3,4-dihydro-1H-naphthalene-2-carboxylic acid;hydrate
CID 91886239
2-(cyclobutylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 115002582
oxan-4-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 162633951
2-[hydroxy(oxan-4-yl)methyl]-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 79132573
2-(4-hydroxy-1,1-dioxothiolan-3-yl)-1,3-dihydroindene-2-carboxylic acid
CID 79428307

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The IUPAC name of 2-(oxan-4-yl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid (CID 79429640) is 2-(oxan-4-yl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid.
What is the SMILES notation for 2-(oxan-4-yl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The canonical SMILES for 2-(oxan-4-yl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid is O=C(O)C1(C2CCOCC2)CCc2ccccc2C1.
What is the InChIKey of 2-(oxan-4-yl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The InChIKey is NJCRHJGWJHXZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3/c17-15(18)16(14-6-9-19-10-7-14)8-5-12-3-1-2-4-13(12)11-16/h1-4,14H,5-11H2,(H,17,18).
What are the key properties of 2-(oxan-4-yl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
2-(oxan-4-yl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid has a molecular weight of 260.33 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid is sourced from PubChem (CID 79429640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).