2-(2,3-dihydro-1H-inden-5-ylmethyl)-2-ethylhexan-1-ol

C18H28O — CID 66059336

IUPAC2-(2,3-dihydro-1H-inden-5-ylmethyl)-2-ethylhexan-1-ol
SMILESCCCCC(CC)(CO)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C18H28O/c1-3-5-11-18(4-2,14-19)13-15-9-10-16-7-6-8-17(16)12-15/h9-10,12,19H,3-8,11,13-14H2,1-2H3
InChIKeyRWZMZHNXQYBRCE-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.30
Rot. Bonds7

About 2-(2,3-dihydro-1H-inden-5-ylmethyl)-2-ethylhexan-1-ol

2-(2,3-dihydro-1H-inden-5-ylmethyl)-2-ethylhexan-1-ol (PubChem CID 66059336) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylmethyl)-2-ethylhexan-1-ol.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylmethyl)-2-ethylhexan-1-ol
PubChem CID66059336
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylmethyl)-2-ethylhexan-1-ol
SMILESCCCCC(CC)(CO)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C18H28O/c1-3-5-11-18(4-2,14-19)13-15-9-10-16-7-6-8-17(16)12-15/h9-10,12,19H,3-8,11,13-14H2,1-2H3
InChIKeyRWZMZHNXQYBRCE-UHFFFAOYSA-N
XLogP4.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-2-[[4-(trifluoromethoxy)phenyl]methyl]hexan-1-ol
CID 66060409
2-[[4-[2,2-bis(hydroxymethyl)tetradecyl]phenyl]methyl]-2-dodecylpropane-1,3-diol
CID 142736441
2-(2,3-dihydro-1H-inden-5-ylmethyl)-2,3-dimethylbutan-1-ol
CID 83150043
2-butyl-2-ethylpropane-1,3-diol;1,3,5-tritert-butylbenzene
CID 141204509
3-(2,3-dihydro-1H-inden-5-yl)-2,2-difluoropropanoic acid
CID 116838219
3-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyheptanoic acid
CID 112507670
2-(2,3-dihydro-1H-inden-5-yl)heptan-2-ol
CID 114194197
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-fluorophenyl)butan-2-amine
CID 115996411
2-[(3-chloro-4-fluorophenyl)methyl]-2-ethylpropane-1,3-diol
CID 103042129
(3R)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)octan-3-ol
CID 100938852
3,3-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 116925103
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylpentan-2-amine
CID 115629541

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylmethyl)-2-ethylhexan-1-ol?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylmethyl)-2-ethylhexan-1-ol (CID 66059336) is 2-(2,3-dihydro-1H-inden-5-ylmethyl)-2-ethylhexan-1-ol.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylmethyl)-2-ethylhexan-1-ol?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylmethyl)-2-ethylhexan-1-ol is CCCCC(CC)(CO)Cc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylmethyl)-2-ethylhexan-1-ol?
The InChIKey is RWZMZHNXQYBRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c1-3-5-11-18(4-2,14-19)13-15-9-10-16-7-6-8-17(16)12-15/h9-10,12,19H,3-8,11,13-14H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylmethyl)-2-ethylhexan-1-ol?
2-(2,3-dihydro-1H-inden-5-ylmethyl)-2-ethylhexan-1-ol has a molecular weight of 260.42 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylmethyl)-2-ethylhexan-1-ol is sourced from PubChem (CID 66059336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).