phenyl-[(1R,2R,4R,6R,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]methanol

C19H26O2 — CID 101004169

IUPACphenyl-[(1R,2R,4R,6R,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]methanol
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@@H]1O[C@@H](C(O)c3ccccc3)C[C@H]21
InChIInChI=1S/C19H26O2/c1-18(2)14-9-10-19(18,3)17-13(14)11-15(21-17)16(20)12-7-5-4-6-8-12/h4-8,13-17,20H,9-11H2,1-3H3/t13-,14-,15-,16?,17-,19+/m1/s1
InChIKeyLOLUUCDEPLGMPS-OSSFSJEUSA-N
MW286.41 g/mol
LogP3.95
Rot. Bonds2

About phenyl-[(1R,2R,4R,6R,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]methanol

phenyl-[(1R,2R,4R,6R,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]methanol (PubChem CID 101004169) has the molecular formula C19H26O2 and a molecular weight of 286.41 g/mol. Its IUPAC name is phenyl-[(1R,2R,4R,6R,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]methanol.

Molecular Properties

Compound Namephenyl-[(1R,2R,4R,6R,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]methanol
PubChem CID101004169
Molecular FormulaC19H26O2
Molecular Weight286.41 g/mol
Exact Mass286.19
IUPAC Namephenyl-[(1R,2R,4R,6R,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]methanol
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@@H]1O[C@@H](C(O)c3ccccc3)C[C@H]21
InChIInChI=1S/C19H26O2/c1-18(2)14-9-10-19(18,3)17-13(14)11-15(21-17)16(20)12-7-5-4-6-8-12/h4-8,13-17,20H,9-11H2,1-3H3/t13-,14-,15-,16?,17-,19+/m1/s1
InChIKeyLOLUUCDEPLGMPS-OSSFSJEUSA-N
XLogP3.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenyl-[(1R,2R,4R,6R,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]methanol?
The IUPAC name of phenyl-[(1R,2R,4R,6R,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]methanol (CID 101004169) is phenyl-[(1R,2R,4R,6R,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]methanol.
What is the SMILES notation for phenyl-[(1R,2R,4R,6R,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]methanol?
The canonical SMILES for phenyl-[(1R,2R,4R,6R,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]methanol is CC1(C)[C@@H]2CC[C@@]1(C)[C@@H]1O[C@@H](C(O)c3ccccc3)C[C@H]21.
What is the InChIKey of phenyl-[(1R,2R,4R,6R,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]methanol?
The InChIKey is LOLUUCDEPLGMPS-OSSFSJEUSA-N. The full InChI is InChI=1S/C19H26O2/c1-18(2)14-9-10-19(18,3)17-13(14)11-15(21-17)16(20)12-7-5-4-6-8-12/h4-8,13-17,20H,9-11H2,1-3H3/t13-,14-,15-,16?,17-,19+/m1/s1.
What are the key properties of phenyl-[(1R,2R,4R,6R,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]methanol?
phenyl-[(1R,2R,4R,6R,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]methanol has a molecular weight of 286.41 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[(1R,2R,4R,6R,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]methanol is sourced from PubChem (CID 101004169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).