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

C16H22O2 — CID 114535657

IUPAC[3-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methyloxolan-3-yl]methanol
SMILESCC1OCCC1(CO)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C16H22O2/c1-12-16(11-17,7-8-18-12)10-13-5-6-14-3-2-4-15(14)9-13/h5-6,9,12,17H,2-4,7-8,10-11H2,1H3
InChIKeyAXVGITMAJYSGBS-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.51
Rot. Bonds3

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

[3-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methyloxolan-3-yl]methanol (PubChem CID 114535657) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is [3-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methyloxolan-3-yl]methanol.

Molecular Properties

Compound Name[3-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methyloxolan-3-yl]methanol
PubChem CID114535657
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name[3-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methyloxolan-3-yl]methanol
SMILESCC1OCCC1(CO)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C16H22O2/c1-12-16(11-17,7-8-18-12)10-13-5-6-14-3-2-4-15(14)9-13/h5-6,9,12,17H,2-4,7-8,10-11H2,1H3
InChIKeyAXVGITMAJYSGBS-UHFFFAOYSA-N
XLogP2.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(furan-3-ylmethyl)-2-methyloxolan-3-yl]methanol
CID 114535679
[3-(hydroxymethyl)-2-methyloxolan-3-yl]methanol
CID 130490555
1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylcycloheptan-1-ol
CID 65084707
3-(bromomethyl)-3-[(3,4-difluorophenyl)methyl]-2-methyloxolane
CID 114535939
1-[1-(2,3-dihydro-1H-inden-5-ylmethyl)cyclopropyl]ethanol
CID 106798252
[2-methyl-3-(1,3-thiazol-2-ylmethyl)oxolan-3-yl]methanol
CID 114535607
3-[[2-methyl-3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]phenol
CID 114534749
[1-(2,3-dihydro-1H-inden-5-yl)cyclobutyl]methanol
CID 83686763
N-[[3-[(3,4-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine
CID 114534816
1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)cyclopentane-1-carboxylic acid
CID 82300658
4-(2,3-dihydro-1H-inden-5-ylmethyl)-1-propylazepan-4-ol
CID 65077468
[2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-yl]methanol
CID 114535692

Frequently Asked Questions

What is the IUPAC name of [3-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methyloxolan-3-yl]methanol?
The IUPAC name of [3-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methyloxolan-3-yl]methanol (CID 114535657) is [3-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methyloxolan-3-yl]methanol.
What is the SMILES notation for [3-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methyloxolan-3-yl]methanol?
The canonical SMILES for [3-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methyloxolan-3-yl]methanol is CC1OCCC1(CO)Cc1ccc2c(c1)CCC2.
What is the InChIKey of [3-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methyloxolan-3-yl]methanol?
The InChIKey is AXVGITMAJYSGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-12-16(11-17,7-8-18-12)10-13-5-6-14-3-2-4-15(14)9-13/h5-6,9,12,17H,2-4,7-8,10-11H2,1H3.
What are the key properties of [3-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methyloxolan-3-yl]methanol?
[3-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methyloxolan-3-yl]methanol has a molecular weight of 246.35 g/mol, XLogP of 2.51, 3 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-ylmethyl)-2-methyloxolan-3-yl]methanol is sourced from PubChem (CID 114535657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).