(4aR,9R,9aR)-6-chloro-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-fluoren-9-ol

C16H21ClO — CID 54759355

IUPAC(4aR,9R,9aR)-6-chloro-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-fluoren-9-ol
SMILESCC1(C)CCC[C@@]2(C)c3cc(Cl)ccc3[C@H](O)[C@H]12
InChIInChI=1S/C16H21ClO/c1-15(2)7-4-8-16(3)12-9-10(17)5-6-11(12)13(18)14(15)16/h5-6,9,13-14,18H,4,7-8H2,1-3H3/t13-,14+,16-/m0/s1
InChIKeyJZEWVKJAURFSCT-LZWOXQAQSA-N
MW264.80 g/mol
LogP4.47
Rot. Bonds

About (4aR,9R,9aR)-6-chloro-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-fluoren-9-ol

(4aR,9R,9aR)-6-chloro-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-fluoren-9-ol (PubChem CID 54759355) has the molecular formula C16H21ClO and a molecular weight of 264.80 g/mol. Its IUPAC name is (4aR,9R,9aR)-6-chloro-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-fluoren-9-ol.

Molecular Properties

Compound Name(4aR,9R,9aR)-6-chloro-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-fluoren-9-ol
PubChem CID54759355
Molecular FormulaC16H21ClO
Molecular Weight264.80 g/mol
Exact Mass264.13
IUPAC Name(4aR,9R,9aR)-6-chloro-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-fluoren-9-ol
SMILESCC1(C)CCC[C@@]2(C)c3cc(Cl)ccc3[C@H](O)[C@H]12
InChIInChI=1S/C16H21ClO/c1-15(2)7-4-8-16(3)12-9-10(17)5-6-11(12)13(18)14(15)16/h5-6,9,13-14,18H,4,7-8H2,1-3H3/t13-,14+,16-/m0/s1
InChIKeyJZEWVKJAURFSCT-LZWOXQAQSA-N
XLogP4.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4aR,9R,9aR)-6-chloro-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-fluoren-9-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aR,9R,9aR)-6-chloro-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-fluoren-9-ol?
The IUPAC name of (4aR,9R,9aR)-6-chloro-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-fluoren-9-ol (CID 54759355) is (4aR,9R,9aR)-6-chloro-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-fluoren-9-ol.
What is the SMILES notation for (4aR,9R,9aR)-6-chloro-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-fluoren-9-ol?
The canonical SMILES for (4aR,9R,9aR)-6-chloro-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-fluoren-9-ol is CC1(C)CCC[C@@]2(C)c3cc(Cl)ccc3[C@H](O)[C@H]12.
What is the InChIKey of (4aR,9R,9aR)-6-chloro-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-fluoren-9-ol?
The InChIKey is JZEWVKJAURFSCT-LZWOXQAQSA-N. The full InChI is InChI=1S/C16H21ClO/c1-15(2)7-4-8-16(3)12-9-10(17)5-6-11(12)13(18)14(15)16/h5-6,9,13-14,18H,4,7-8H2,1-3H3/t13-,14+,16-/m0/s1.
What are the key properties of (4aR,9R,9aR)-6-chloro-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-fluoren-9-ol?
(4aR,9R,9aR)-6-chloro-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-fluoren-9-ol has a molecular weight of 264.80 g/mol, XLogP of 4.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,9R,9aR)-6-chloro-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-fluoren-9-ol is sourced from PubChem (CID 54759355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).