[4-(2,3-dihydro-1H-inden-5-ylmethoxy)cyclohexyl]methanol

C17H24O2 — CID 106825329

IUPAC[4-(2,3-dihydro-1H-inden-5-ylmethoxy)cyclohexyl]methanol
SMILESOCC1CCC(OCc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C17H24O2/c18-11-13-5-8-17(9-6-13)19-12-14-4-7-15-2-1-3-16(15)10-14/h4,7,10,13,17-18H,1-3,5-6,8-9,11-12H2
InChIKeyXWPCTGBEFGKSFW-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.24
Rot. Bonds4

About [4-(2,3-dihydro-1H-inden-5-ylmethoxy)cyclohexyl]methanol

[4-(2,3-dihydro-1H-inden-5-ylmethoxy)cyclohexyl]methanol (PubChem CID 106825329) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is [4-(2,3-dihydro-1H-inden-5-ylmethoxy)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-(2,3-dihydro-1H-inden-5-ylmethoxy)cyclohexyl]methanol
PubChem CID106825329
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name[4-(2,3-dihydro-1H-inden-5-ylmethoxy)cyclohexyl]methanol
SMILESOCC1CCC(OCc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C17H24O2/c18-11-13-5-8-17(9-6-13)19-12-14-4-7-15-2-1-3-16(15)10-14/h4,7,10,13,17-18H,1-3,5-6,8-9,11-12H2
InChIKeyXWPCTGBEFGKSFW-UHFFFAOYSA-N
XLogP3.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,3-dihydro-1H-inden-5-ylmethoxy)cyclohexan-1-one
CID 113414209
[4-[(3-fluoro-4-nitrophenyl)methoxy]cyclohexyl]methanol
CID 106825550
6-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene
CID 90992767
[3-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol
CID 144689190
[4-[(2,5-difluorophenyl)methoxy]cyclohexyl]methanol
CID 106825197
2,3-dihydro-1H-inden-5-ylmethyl carbonochloridate
CID 83820869
[1-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-3-yl]methanol
CID 64863294
N-[4-(cyclopropylmethyl)phenyl]-N-methyl-2,3-dihydro-1H-inden-5-amine
CID 155314010
N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443750
4-(cyclobutyloxymethyl)-1,2-difluorobenzene
CID 155941931
N-(cyclopropylmethyl)-2,3-dihydro-1H-inden-5-amine
CID 43560294
4-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidine
CID 23294446

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydro-1H-inden-5-ylmethoxy)cyclohexyl]methanol?
The IUPAC name of [4-(2,3-dihydro-1H-inden-5-ylmethoxy)cyclohexyl]methanol (CID 106825329) is [4-(2,3-dihydro-1H-inden-5-ylmethoxy)cyclohexyl]methanol.
What is the SMILES notation for [4-(2,3-dihydro-1H-inden-5-ylmethoxy)cyclohexyl]methanol?
The canonical SMILES for [4-(2,3-dihydro-1H-inden-5-ylmethoxy)cyclohexyl]methanol is OCC1CCC(OCc2ccc3c(c2)CCC3)CC1.
What is the InChIKey of [4-(2,3-dihydro-1H-inden-5-ylmethoxy)cyclohexyl]methanol?
The InChIKey is XWPCTGBEFGKSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c18-11-13-5-8-17(9-6-13)19-12-14-4-7-15-2-1-3-16(15)10-14/h4,7,10,13,17-18H,1-3,5-6,8-9,11-12H2.
What are the key properties of [4-(2,3-dihydro-1H-inden-5-ylmethoxy)cyclohexyl]methanol?
[4-(2,3-dihydro-1H-inden-5-ylmethoxy)cyclohexyl]methanol has a molecular weight of 260.38 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dihydro-1H-inden-5-ylmethoxy)cyclohexyl]methanol is sourced from PubChem (CID 106825329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).