5-(3-methoxycyclohexyl)oxy-2,3-dihydro-1H-inden-1-ol

C16H22O3 — CID 107684644

IUPAC5-(3-methoxycyclohexyl)oxy-2,3-dihydro-1H-inden-1-ol
SMILESCOC1CCCC(Oc2ccc3c(c2)CCC3O)C1
InChIInChI=1S/C16H22O3/c1-18-12-3-2-4-13(10-12)19-14-6-7-15-11(9-14)5-8-16(15)17/h6-7,9,12-13,16-17H,2-5,8,10H2,1H3
InChIKeySCMMOBXVOULDRO-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.00
Rot. Bonds3

About 5-(3-methoxycyclohexyl)oxy-2,3-dihydro-1H-inden-1-ol

5-(3-methoxycyclohexyl)oxy-2,3-dihydro-1H-inden-1-ol (PubChem CID 107684644) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 5-(3-methoxycyclohexyl)oxy-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name5-(3-methoxycyclohexyl)oxy-2,3-dihydro-1H-inden-1-ol
PubChem CID107684644
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name5-(3-methoxycyclohexyl)oxy-2,3-dihydro-1H-inden-1-ol
SMILESCOC1CCCC(Oc2ccc3c(c2)CCC3O)C1
InChIInChI=1S/C16H22O3/c1-18-12-3-2-4-13(10-12)19-14-6-7-15-11(9-14)5-8-16(15)17/h6-7,9,12-13,16-17H,2-5,8,10H2,1H3
InChIKeySCMMOBXVOULDRO-UHFFFAOYSA-N
XLogP3.00
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-5-(2-hydroxycyclopentyl)oxy-2,3-dihydro-1H-inden-1-ol
CID 114091325
5-(2-hydroxycyclohexyl)oxy-2,3-dihydro-1H-inden-1-ol
CID 107684725
3-[[(1R)-1-hydroxy-2,3-dihydro-1H-inden-5-yl]oxy]-1-methylpyrrolidin-2-one
CID 114091306
1-bromo-2-fluoro-4-(3-methoxycyclohexyl)oxybenzene
CID 65202671
5-but-2-ynoxy-2,3-dihydro-1H-inden-1-ol
CID 107684782
5-octoxy-2,3-dihydro-1H-inden-1-ol
CID 107684624
1-[2-amino-4-(3-methoxycyclohexyl)oxyphenyl]ethanone
CID 104529355
(5R,7S)-7-amino-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 125495690
3-cyclopentyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16,17-diol
CID 14626803
5-(2-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684629
potassium trifluoro-[4-(3-methoxycyclohexyl)oxy-2-methylphenyl]boranuide
CID 83137054
2-bromo-N'-hydroxy-4-(3-methoxycyclohexyl)oxybenzenecarboximidamide
CID 107279013

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxycyclohexyl)oxy-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 5-(3-methoxycyclohexyl)oxy-2,3-dihydro-1H-inden-1-ol (CID 107684644) is 5-(3-methoxycyclohexyl)oxy-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 5-(3-methoxycyclohexyl)oxy-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 5-(3-methoxycyclohexyl)oxy-2,3-dihydro-1H-inden-1-ol is COC1CCCC(Oc2ccc3c(c2)CCC3O)C1.
What is the InChIKey of 5-(3-methoxycyclohexyl)oxy-2,3-dihydro-1H-inden-1-ol?
The InChIKey is SCMMOBXVOULDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-18-12-3-2-4-13(10-12)19-14-6-7-15-11(9-14)5-8-16(15)17/h6-7,9,12-13,16-17H,2-5,8,10H2,1H3.
What are the key properties of 5-(3-methoxycyclohexyl)oxy-2,3-dihydro-1H-inden-1-ol?
5-(3-methoxycyclohexyl)oxy-2,3-dihydro-1H-inden-1-ol has a molecular weight of 262.35 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxycyclohexyl)oxy-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 107684644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).