1-propan-2-yloxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid

C14H18O3 — CID 114991852

IUPAC1-propan-2-yloxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
SMILESCC(C)OC1(C(=O)O)CCCc2ccccc21
InChIInChI=1S/C14H18O3/c1-10(2)17-14(13(15)16)9-5-7-11-6-3-4-8-12(11)14/h3-4,6,8,10H,5,7,9H2,1-2H3,(H,15,16)
InChIKeyPGZHCHWXESITPI-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.73
Rot. Bonds3

About 1-propan-2-yloxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid

1-propan-2-yloxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid (PubChem CID 114991852) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-propan-2-yloxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name1-propan-2-yloxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
PubChem CID114991852
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name1-propan-2-yloxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
SMILESCC(C)OC1(C(=O)O)CCCc2ccccc21
InChIInChI=1S/C14H18O3/c1-10(2)17-14(13(15)16)9-5-7-11-6-3-4-8-12(11)14/h3-4,6,8,10H,5,7,9H2,1-2H3,(H,15,16)
InChIKeyPGZHCHWXESITPI-UHFFFAOYSA-N
XLogP2.73
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 114989948
5-ethoxy-6,7,8,9-tetrahydrobenzo[7]annulene-5-carboxylic acid
CID 115590590
1-methoxy-2,3-dihydroindene-1-carboxylic acid
CID 22367227
1-(2-hydroxypropyl)-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 79425052
(1S)-1-chloro-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 67733183
(1S)-1-methyl-2,3-dihydroindene-1-carboxylic acid
CID 124509477
propan-2-yl N-[(1S)-1-methyl-2,3-dihydroinden-1-yl]carbamate
CID 122550821
methyl 2'-propan-2-ylspiro[2,3-dihydro-1H-naphthalene-4,3'-oxirane]-2'-carboxylate
CID 79298955
4-(3-hydroxybutan-2-yloxy)-1,1-dioxo-2,3-dihydrothiochromene-4-carboxylic acid
CID 103377828
1-[formyl(methyl)amino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 63688156
5-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydrobenzo[7]annulene-5-carboxylic acid
CID 61342915
methyl 1-(2-methylpropylamino)-3,4-dihydro-2H-naphthalene-1-carboxylate
CID 54895148

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The IUPAC name of 1-propan-2-yloxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid (CID 114991852) is 1-propan-2-yloxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid.
What is the SMILES notation for 1-propan-2-yloxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The canonical SMILES for 1-propan-2-yloxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid is CC(C)OC1(C(=O)O)CCCc2ccccc21.
What is the InChIKey of 1-propan-2-yloxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The InChIKey is PGZHCHWXESITPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-10(2)17-14(13(15)16)9-5-7-11-6-3-4-8-12(11)14/h3-4,6,8,10H,5,7,9H2,1-2H3,(H,15,16).
What are the key properties of 1-propan-2-yloxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
1-propan-2-yloxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid has a molecular weight of 234.30 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid is sourced from PubChem (CID 114991852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).