(1-methyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-yl)methanol

C15H20O — CID 54340891

IUPAC(1-methyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-yl)methanol
SMILESCC1CCCC2c3ccccc3C(CO)C12
InChIInChI=1S/C15H20O/c1-10-5-4-8-13-11-6-2-3-7-12(11)14(9-16)15(10)13/h2-3,6-7,10,13-16H,4-5,8-9H2,1H3
InChIKeyTYWHZBFDXMRAIV-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.30
Rot. Bonds1

About (1-methyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-yl)methanol

(1-methyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-yl)methanol (PubChem CID 54340891) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is (1-methyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-yl)methanol.

Molecular Properties

Compound Name(1-methyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-yl)methanol
PubChem CID54340891
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name(1-methyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-yl)methanol
SMILESCC1CCCC2c3ccccc3C(CO)C12
InChIInChI=1S/C15H20O/c1-10-5-4-8-13-11-6-2-3-7-12(11)14(9-16)15(10)13/h2-3,6-7,10,13-16H,4-5,8-9H2,1H3
InChIKeyTYWHZBFDXMRAIV-UHFFFAOYSA-N
XLogP3.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-yl)methanol?
The IUPAC name of (1-methyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-yl)methanol (CID 54340891) is (1-methyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-yl)methanol.
What is the SMILES notation for (1-methyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-yl)methanol?
The canonical SMILES for (1-methyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-yl)methanol is CC1CCCC2c3ccccc3C(CO)C12.
What is the InChIKey of (1-methyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-yl)methanol?
The InChIKey is TYWHZBFDXMRAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-10-5-4-8-13-11-6-2-3-7-12(11)14(9-16)15(10)13/h2-3,6-7,10,13-16H,4-5,8-9H2,1H3.
What are the key properties of (1-methyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-yl)methanol?
(1-methyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-yl)methanol has a molecular weight of 216.32 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-yl)methanol is sourced from PubChem (CID 54340891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).