2,3,4,4a,9,9a-hexahydro-1H-fluoren-1-ylmethanol

C14H18O — CID 70621854

IUPAC2,3,4,4a,9,9a-hexahydro-1H-fluoren-1-ylmethanol
SMILESOCC1CCCC2c3ccccc3CC12
InChIInChI=1S/C14H18O/c15-9-11-5-3-7-13-12-6-2-1-4-10(12)8-14(11)13/h1-2,4,6,11,13-15H,3,5,7-9H2
InChIKeyZBOUMDVQINXCCF-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.73
Rot. Bonds1

About 2,3,4,4a,9,9a-hexahydro-1H-fluoren-1-ylmethanol

2,3,4,4a,9,9a-hexahydro-1H-fluoren-1-ylmethanol (PubChem CID 70621854) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 2,3,4,4a,9,9a-hexahydro-1H-fluoren-1-ylmethanol.

Molecular Properties

Compound Name2,3,4,4a,9,9a-hexahydro-1H-fluoren-1-ylmethanol
PubChem CID70621854
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name2,3,4,4a,9,9a-hexahydro-1H-fluoren-1-ylmethanol
SMILESOCC1CCCC2c3ccccc3CC12
InChIInChI=1S/C14H18O/c15-9-11-5-3-7-13-12-6-2-1-4-10(12)8-14(11)13/h1-2,4,6,11,13-15H,3,5,7-9H2
InChIKeyZBOUMDVQINXCCF-UHFFFAOYSA-N
XLogP2.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,9,9a-hexahydro-1H-fluoren-1-ylmethanol?
The IUPAC name of 2,3,4,4a,9,9a-hexahydro-1H-fluoren-1-ylmethanol (CID 70621854) is 2,3,4,4a,9,9a-hexahydro-1H-fluoren-1-ylmethanol.
What is the SMILES notation for 2,3,4,4a,9,9a-hexahydro-1H-fluoren-1-ylmethanol?
The canonical SMILES for 2,3,4,4a,9,9a-hexahydro-1H-fluoren-1-ylmethanol is OCC1CCCC2c3ccccc3CC12.
What is the InChIKey of 2,3,4,4a,9,9a-hexahydro-1H-fluoren-1-ylmethanol?
The InChIKey is ZBOUMDVQINXCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c15-9-11-5-3-7-13-12-6-2-1-4-10(12)8-14(11)13/h1-2,4,6,11,13-15H,3,5,7-9H2.
What are the key properties of 2,3,4,4a,9,9a-hexahydro-1H-fluoren-1-ylmethanol?
2,3,4,4a,9,9a-hexahydro-1H-fluoren-1-ylmethanol has a molecular weight of 202.30 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,9,9a-hexahydro-1H-fluoren-1-ylmethanol is sourced from PubChem (CID 70621854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).