(2S)-2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)propan-1-ol

C17H26O — CID 11242054

IUPAC(2S)-2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)propan-1-ol
SMILESCC1C(C)(C)c2ccc([C@H](C)CO)cc2C1(C)C
InChIInChI=1S/C17H26O/c1-11(10-18)13-7-8-14-15(9-13)17(5,6)12(2)16(14,3)4/h7-9,11-12,18H,10H2,1-6H3/t11-,12?/m1/s1
InChIKeyFADUOCSCUWPALK-JHJMLUEUSA-N
MW246.39 g/mol
LogP3.99
Rot. Bonds2

About (2S)-2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)propan-1-ol

(2S)-2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)propan-1-ol (PubChem CID 11242054) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is (2S)-2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)propan-1-ol
PubChem CID11242054
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name(2S)-2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)propan-1-ol
SMILESCC1C(C)(C)c2ccc([C@H](C)CO)cc2C1(C)C
InChIInChI=1S/C17H26O/c1-11(10-18)13-7-8-14-15(9-13)17(5,6)12(2)16(14,3)4/h7-9,11-12,18H,10H2,1-6H3/t11-,12?/m1/s1
InChIKeyFADUOCSCUWPALK-JHJMLUEUSA-N
XLogP3.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)propan-1-ol?
The IUPAC name of (2S)-2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)propan-1-ol (CID 11242054) is (2S)-2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)propan-1-ol.
What is the SMILES notation for (2S)-2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)propan-1-ol?
The canonical SMILES for (2S)-2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)propan-1-ol is CC1C(C)(C)c2ccc([C@H](C)CO)cc2C1(C)C.
What is the InChIKey of (2S)-2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)propan-1-ol?
The InChIKey is FADUOCSCUWPALK-JHJMLUEUSA-N. The full InChI is InChI=1S/C17H26O/c1-11(10-18)13-7-8-14-15(9-13)17(5,6)12(2)16(14,3)4/h7-9,11-12,18H,10H2,1-6H3/t11-,12?/m1/s1.
What are the key properties of (2S)-2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)propan-1-ol?
(2S)-2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)propan-1-ol has a molecular weight of 246.39 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)propan-1-ol is sourced from PubChem (CID 11242054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).