1-(2-ethylhexyl)-6-methoxy-2,3-dihydroinden-1-ol

C18H28O2 — CID 79374993

IUPAC1-(2-ethylhexyl)-6-methoxy-2,3-dihydroinden-1-ol
SMILESCCCCC(CC)CC1(O)CCc2ccc(OC)cc21
InChIInChI=1S/C18H28O2/c1-4-6-7-14(5-2)13-18(19)11-10-15-8-9-16(20-3)12-17(15)18/h8-9,12,14,19H,4-7,10-11,13H2,1-3H3
InChIKeyPVTFCKARGFWKEV-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.44
Rot. Bonds7

About 1-(2-ethylhexyl)-6-methoxy-2,3-dihydroinden-1-ol

1-(2-ethylhexyl)-6-methoxy-2,3-dihydroinden-1-ol (PubChem CID 79374993) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(2-ethylhexyl)-6-methoxy-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-(2-ethylhexyl)-6-methoxy-2,3-dihydroinden-1-ol
PubChem CID79374993
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name1-(2-ethylhexyl)-6-methoxy-2,3-dihydroinden-1-ol
SMILESCCCCC(CC)CC1(O)CCc2ccc(OC)cc21
InChIInChI=1S/C18H28O2/c1-4-6-7-14(5-2)13-18(19)11-10-15-8-9-16(20-3)12-17(15)18/h8-9,12,14,19H,4-7,10-11,13H2,1-3H3
InChIKeyPVTFCKARGFWKEV-UHFFFAOYSA-N
XLogP4.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-hexyl-6-methoxy-2,3-dihydroinden-1-ol
CID 79375059
1-butyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-ol
CID 102290359
6-methoxy-1-(methoxymethyl)-2,3-dihydroinden-1-ol
CID 79568236
6-methoxy-1-(propylaminomethyl)-2,3-dihydroinden-1-ol
CID 79368954
6-methoxy-1-[(propan-2-ylamino)methyl]-2,3-dihydroinden-1-ol
CID 79368955
1-[(4-ethylphenyl)methyl]-6-methoxy-2,3-dihydroinden-1-ol
CID 79371784
6-methoxy-1-pent-4-ynyl-2,3-dihydroinden-1-ol
CID 113374241
6-methoxy-1-(2-phenylethyl)-2,3-dihydroinden-1-ol
CID 79374356
1-(4-ethylcyclohexyl)-6-methoxy-2,3-dihydroinden-1-ol
CID 79374140
6-methoxy-1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroinden-1-ol
CID 112642015
6-methoxy-1-(thiophen-3-ylmethyl)-2,3-dihydroinden-1-ol
CID 79374000
[6-methoxy-1-(methylamino)-2,3-dihydroinden-1-yl]methanol
CID 79375001

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexyl)-6-methoxy-2,3-dihydroinden-1-ol?
The IUPAC name of 1-(2-ethylhexyl)-6-methoxy-2,3-dihydroinden-1-ol (CID 79374993) is 1-(2-ethylhexyl)-6-methoxy-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-(2-ethylhexyl)-6-methoxy-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-(2-ethylhexyl)-6-methoxy-2,3-dihydroinden-1-ol is CCCCC(CC)CC1(O)CCc2ccc(OC)cc21.
What is the InChIKey of 1-(2-ethylhexyl)-6-methoxy-2,3-dihydroinden-1-ol?
The InChIKey is PVTFCKARGFWKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-4-6-7-14(5-2)13-18(19)11-10-15-8-9-16(20-3)12-17(15)18/h8-9,12,14,19H,4-7,10-11,13H2,1-3H3.
What are the key properties of 1-(2-ethylhexyl)-6-methoxy-2,3-dihydroinden-1-ol?
1-(2-ethylhexyl)-6-methoxy-2,3-dihydroinden-1-ol has a molecular weight of 276.42 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexyl)-6-methoxy-2,3-dihydroinden-1-ol is sourced from PubChem (CID 79374993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).