[3-(2,3-dihydro-1H-inden-5-yl)oxetan-3-yl]methanol

C13H16O2 — CID 116829694

IUPAC[3-(2,3-dihydro-1H-inden-5-yl)oxetan-3-yl]methanol
SMILESOCC1(c2ccc3c(c2)CCC3)COC1
InChIInChI=1S/C13H16O2/c14-7-13(8-15-9-13)12-5-4-10-2-1-3-11(10)6-12/h4-6,14H,1-3,7-9H2
InChIKeyCOESKFIQEOLMOE-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.44
Rot. Bonds2

About [3-(2,3-dihydro-1H-inden-5-yl)oxetan-3-yl]methanol

[3-(2,3-dihydro-1H-inden-5-yl)oxetan-3-yl]methanol (PubChem CID 116829694) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is [3-(2,3-dihydro-1H-inden-5-yl)oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-(2,3-dihydro-1H-inden-5-yl)oxetan-3-yl]methanol
PubChem CID116829694
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name[3-(2,3-dihydro-1H-inden-5-yl)oxetan-3-yl]methanol
SMILESOCC1(c2ccc3c(c2)CCC3)COC1
InChIInChI=1S/C13H16O2/c14-7-13(8-15-9-13)12-5-4-10-2-1-3-11(10)6-12/h4-6,14H,1-3,7-9H2
InChIKeyCOESKFIQEOLMOE-UHFFFAOYSA-N
XLogP1.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2,3-dihydro-1H-inden-5-yl)cyclobutyl]methanol
CID 83686763
[1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]methanol
CID 116963428
2-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetan-3-yl]ethanamine
CID 116869528
3-(2-chloroethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetane
CID 116871478
3-(2,3-dihydro-1H-inden-5-yl)oxetane-3-carbonitrile
CID 116873126
3-[(2,3-dihydro-1H-inden-5-ylamino)methyl]oxetane-3-carboxylic acid
CID 115248273
[1-(2,3-dihydro-1-benzofuran-5-yl)cyclopropyl]methanol
CID 105426415
[3-(3,4-dihydro-2H-thiochromen-6-yl)oxetan-3-yl]methanethiol
CID 116872505
[3-(2,4-difluorophenyl)oxetan-3-yl]methanol
CID 116829723
[3-(1H-pyrrol-3-yl)oxetan-3-yl]methanol
CID 116829727
2-(2,3-dihydro-1H-inden-5-yl)-2-methyl-1,3-dioxolane
CID 82126227
3-(2,3-dihydro-1H-inden-5-yl)azetidin-3-ol
CID 130479478

Frequently Asked Questions

What is the IUPAC name of [3-(2,3-dihydro-1H-inden-5-yl)oxetan-3-yl]methanol?
The IUPAC name of [3-(2,3-dihydro-1H-inden-5-yl)oxetan-3-yl]methanol (CID 116829694) is [3-(2,3-dihydro-1H-inden-5-yl)oxetan-3-yl]methanol.
What is the SMILES notation for [3-(2,3-dihydro-1H-inden-5-yl)oxetan-3-yl]methanol?
The canonical SMILES for [3-(2,3-dihydro-1H-inden-5-yl)oxetan-3-yl]methanol is OCC1(c2ccc3c(c2)CCC3)COC1.
What is the InChIKey of [3-(2,3-dihydro-1H-inden-5-yl)oxetan-3-yl]methanol?
The InChIKey is COESKFIQEOLMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c14-7-13(8-15-9-13)12-5-4-10-2-1-3-11(10)6-12/h4-6,14H,1-3,7-9H2.
What are the key properties of [3-(2,3-dihydro-1H-inden-5-yl)oxetan-3-yl]methanol?
[3-(2,3-dihydro-1H-inden-5-yl)oxetan-3-yl]methanol has a molecular weight of 204.27 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3-dihydro-1H-inden-5-yl)oxetan-3-yl]methanol is sourced from PubChem (CID 116829694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).