1-[[(2S)-oxolan-2-yl]methoxy]-3,4-dihydro-1H-isochromene

C14H18O3 — CID 91083290

IUPAC1-[[(2S)-oxolan-2-yl]methoxy]-3,4-dihydro-1H-isochromene
SMILESc1ccc2c(c1)CCOC2OC[C@@H]1CCCO1
InChIInChI=1S/C14H18O3/c1-2-6-13-11(4-1)7-9-16-14(13)17-10-12-5-3-8-15-12/h1-2,4,6,12,14H,3,5,7-10H2/t12-,14?/m0/s1
InChIKeyMILSTZFDDRSMHW-NBFOIZRFSA-N
MW234.30 g/mol
LogP2.45
Rot. Bonds3

About 1-[[(2S)-oxolan-2-yl]methoxy]-3,4-dihydro-1H-isochromene

1-[[(2S)-oxolan-2-yl]methoxy]-3,4-dihydro-1H-isochromene (PubChem CID 91083290) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[[(2S)-oxolan-2-yl]methoxy]-3,4-dihydro-1H-isochromene.

Molecular Properties

Compound Name1-[[(2S)-oxolan-2-yl]methoxy]-3,4-dihydro-1H-isochromene
PubChem CID91083290
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name1-[[(2S)-oxolan-2-yl]methoxy]-3,4-dihydro-1H-isochromene
SMILESc1ccc2c(c1)CCOC2OC[C@@H]1CCCO1
InChIInChI=1S/C14H18O3/c1-2-6-13-11(4-1)7-9-16-14(13)17-10-12-5-3-8-15-12/h1-2,4,6,12,14H,3,5,7-10H2/t12-,14?/m0/s1
InChIKeyMILSTZFDDRSMHW-NBFOIZRFSA-N
XLogP2.45
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-(oxolan-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 65166206
2-[(1-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]oxolane
CID 62550361
2-[(1-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]oxolane
CID 55091627
N-[2-(oxolan-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 54917499
N-methyl-6-[2-(oxolan-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 65162668
2-(oxolan-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone
CID 63247062
3-(oxolan-2-ylmethoxy)cyclopentan-1-one
CID 79643554
2-[(2R)-oxolan-2-yl]-N-[3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]acetamide
CID 95378100
3-[[2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetyl]-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
CID 125153586
2-(oxolan-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 55243439
2-(oxan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79422393
(1R)-N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-1H-isochromene-1-carboxamide
CID 124578245

Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-oxolan-2-yl]methoxy]-3,4-dihydro-1H-isochromene?
The IUPAC name of 1-[[(2S)-oxolan-2-yl]methoxy]-3,4-dihydro-1H-isochromene (CID 91083290) is 1-[[(2S)-oxolan-2-yl]methoxy]-3,4-dihydro-1H-isochromene.
What is the SMILES notation for 1-[[(2S)-oxolan-2-yl]methoxy]-3,4-dihydro-1H-isochromene?
The canonical SMILES for 1-[[(2S)-oxolan-2-yl]methoxy]-3,4-dihydro-1H-isochromene is c1ccc2c(c1)CCOC2OC[C@@H]1CCCO1.
What is the InChIKey of 1-[[(2S)-oxolan-2-yl]methoxy]-3,4-dihydro-1H-isochromene?
The InChIKey is MILSTZFDDRSMHW-NBFOIZRFSA-N. The full InChI is InChI=1S/C14H18O3/c1-2-6-13-11(4-1)7-9-16-14(13)17-10-12-5-3-8-15-12/h1-2,4,6,12,14H,3,5,7-10H2/t12-,14?/m0/s1.
What are the key properties of 1-[[(2S)-oxolan-2-yl]methoxy]-3,4-dihydro-1H-isochromene?
1-[[(2S)-oxolan-2-yl]methoxy]-3,4-dihydro-1H-isochromene has a molecular weight of 234.30 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-oxolan-2-yl]methoxy]-3,4-dihydro-1H-isochromene is sourced from PubChem (CID 91083290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).