(1R,2R,3S,4R)-1,7,7-trimethyl-3-naphthalen-2-ylbicyclo[2.2.1]heptan-2-ol

C20H24O — CID 11000459

IUPAC(1R,2R,3S,4R)-1,7,7-trimethyl-3-naphthalen-2-ylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@H](O)[C@@H]2c1ccc2ccccc2c1
InChIInChI=1S/C20H24O/c1-19(2)16-10-11-20(19,3)18(21)17(16)15-9-8-13-6-4-5-7-14(13)12-15/h4-9,12,16-18,21H,10-11H2,1-3H3/t16-,17-,18-,20+/m1/s1
InChIKeyJBMKYMKHVWYCIR-MLYOOKFZSA-N
MW280.41 g/mol
LogP4.74
Rot. Bonds1

About (1R,2R,3S,4R)-1,7,7-trimethyl-3-naphthalen-2-ylbicyclo[2.2.1]heptan-2-ol

(1R,2R,3S,4R)-1,7,7-trimethyl-3-naphthalen-2-ylbicyclo[2.2.1]heptan-2-ol (PubChem CID 11000459) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is (1R,2R,3S,4R)-1,7,7-trimethyl-3-naphthalen-2-ylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1R,2R,3S,4R)-1,7,7-trimethyl-3-naphthalen-2-ylbicyclo[2.2.1]heptan-2-ol
PubChem CID11000459
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name(1R,2R,3S,4R)-1,7,7-trimethyl-3-naphthalen-2-ylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@H](O)[C@@H]2c1ccc2ccccc2c1
InChIInChI=1S/C20H24O/c1-19(2)16-10-11-20(19,3)18(21)17(16)15-9-8-13-6-4-5-7-14(13)12-15/h4-9,12,16-18,21H,10-11H2,1-3H3/t16-,17-,18-,20+/m1/s1
InChIKeyJBMKYMKHVWYCIR-MLYOOKFZSA-N
XLogP4.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R,2R,3S,4R)-1,7,7-trimethyl-3-naphthalen-2-ylbicyclo[2.2.1]heptan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,4R)-1,7,7-trimethyl-3-naphthalen-2-ylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1R,2R,3S,4R)-1,7,7-trimethyl-3-naphthalen-2-ylbicyclo[2.2.1]heptan-2-ol (CID 11000459) is (1R,2R,3S,4R)-1,7,7-trimethyl-3-naphthalen-2-ylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1R,2R,3S,4R)-1,7,7-trimethyl-3-naphthalen-2-ylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1R,2R,3S,4R)-1,7,7-trimethyl-3-naphthalen-2-ylbicyclo[2.2.1]heptan-2-ol is CC1(C)[C@@H]2CC[C@@]1(C)[C@H](O)[C@@H]2c1ccc2ccccc2c1.
What is the InChIKey of (1R,2R,3S,4R)-1,7,7-trimethyl-3-naphthalen-2-ylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is JBMKYMKHVWYCIR-MLYOOKFZSA-N. The full InChI is InChI=1S/C20H24O/c1-19(2)16-10-11-20(19,3)18(21)17(16)15-9-8-13-6-4-5-7-14(13)12-15/h4-9,12,16-18,21H,10-11H2,1-3H3/t16-,17-,18-,20+/m1/s1.
What are the key properties of (1R,2R,3S,4R)-1,7,7-trimethyl-3-naphthalen-2-ylbicyclo[2.2.1]heptan-2-ol?
(1R,2R,3S,4R)-1,7,7-trimethyl-3-naphthalen-2-ylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 280.41 g/mol, XLogP of 4.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,4R)-1,7,7-trimethyl-3-naphthalen-2-ylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 11000459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).