(2R,5S,8S)-12-methyl-4,9-dioxatetracyclo[8.4.0.02,5.05,8]tetradeca-1(10),11,13-trien-2-ol

C13H14O3 — CID 10632604

IUPAC(2R,5S,8S)-12-methyl-4,9-dioxatetracyclo[8.4.0.02,5.05,8]tetradeca-1(10),11,13-trien-2-ol
SMILESCc1ccc2c(c1)O[C@H]1CC[C@]13OC[C@]23O
InChIInChI=1S/C13H14O3/c1-8-2-3-9-10(6-8)16-11-4-5-13(11)12(9,14)7-15-13/h2-3,6,11,14H,4-5,7H2,1H3/t11-,12-,13-/m0/s1
InChIKeySXFNEIAWRHXZFN-AVGNSLFASA-N
MW218.25 g/mol
LogP1.51
Rot. Bonds

About (2R,5S,8S)-12-methyl-4,9-dioxatetracyclo[8.4.0.02,5.05,8]tetradeca-1(10),11,13-trien-2-ol

(2R,5S,8S)-12-methyl-4,9-dioxatetracyclo[8.4.0.02,5.05,8]tetradeca-1(10),11,13-trien-2-ol (PubChem CID 10632604) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is (2R,5S,8S)-12-methyl-4,9-dioxatetracyclo[8.4.0.02,5.05,8]tetradeca-1(10),11,13-trien-2-ol.

Molecular Properties

Compound Name(2R,5S,8S)-12-methyl-4,9-dioxatetracyclo[8.4.0.02,5.05,8]tetradeca-1(10),11,13-trien-2-ol
PubChem CID10632604
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name(2R,5S,8S)-12-methyl-4,9-dioxatetracyclo[8.4.0.02,5.05,8]tetradeca-1(10),11,13-trien-2-ol
SMILESCc1ccc2c(c1)O[C@H]1CC[C@]13OC[C@]23O
InChIInChI=1S/C13H14O3/c1-8-2-3-9-10(6-8)16-11-4-5-13(11)12(9,14)7-15-13/h2-3,6,11,14H,4-5,7H2,1H3/t11-,12-,13-/m0/s1
InChIKeySXFNEIAWRHXZFN-AVGNSLFASA-N
XLogP1.51
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R,5S,8S)-12-methyl-4,9-dioxatetracyclo[8.4.0.02,5.05,8]tetradeca-1(10),11,13-trien-2-ol with MolForge

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Related Compounds

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CID 11117452
(2aS,8R,8aS)-2a,5,8-trimethyl-2,8a-dihydro-1H-cyclobuta[b]chromen-8-ol
CID 11096080
(4'aR,9'aS)-6,7'-dimethylspiro[2H-1-benzofuran-3,2'-4,9a-dihydro-3H-pyrano[2,3-b][1]benzofuran]-2,4'a-diol
CID 10497344
(3S,3aR,8bS)-3,3a,6,8b-tetramethyl-1,2-dihydrocyclopenta[b][1]benzofuran-3-ol
CID 10331512
(10S)-1,5,9-trimethyl-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-ol
CID 138975500
3,4,4-trifluoro-2,3,7-trimethyl-2H-chromene
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CID 116540790
4,4-difluoro-7-methyl-2,3-dihydrochromene
CID 84718817
(1S)-1,6-dimethyl-4-propan-2-yl-3,4-dihydro-2H-naphthalen-1-ol
CID 91747482
1-(2,5-dimethylphenyl)-4-methoxycyclohexan-1-ol
CID 113414594
(1'R,3S)-3',3',5-trimethylspiro[2H-1-benzofuran-3,2'-cyclopentane]-1'-ol
CID 135009450
6-methylspiro[3H-1-benzofuran-2,1'-cyclohexane]
CID 10560055

Frequently Asked Questions

What is the IUPAC name of (2R,5S,8S)-12-methyl-4,9-dioxatetracyclo[8.4.0.02,5.05,8]tetradeca-1(10),11,13-trien-2-ol?
The IUPAC name of (2R,5S,8S)-12-methyl-4,9-dioxatetracyclo[8.4.0.02,5.05,8]tetradeca-1(10),11,13-trien-2-ol (CID 10632604) is (2R,5S,8S)-12-methyl-4,9-dioxatetracyclo[8.4.0.02,5.05,8]tetradeca-1(10),11,13-trien-2-ol.
What is the SMILES notation for (2R,5S,8S)-12-methyl-4,9-dioxatetracyclo[8.4.0.02,5.05,8]tetradeca-1(10),11,13-trien-2-ol?
The canonical SMILES for (2R,5S,8S)-12-methyl-4,9-dioxatetracyclo[8.4.0.02,5.05,8]tetradeca-1(10),11,13-trien-2-ol is Cc1ccc2c(c1)O[C@H]1CC[C@]13OC[C@]23O.
What is the InChIKey of (2R,5S,8S)-12-methyl-4,9-dioxatetracyclo[8.4.0.02,5.05,8]tetradeca-1(10),11,13-trien-2-ol?
The InChIKey is SXFNEIAWRHXZFN-AVGNSLFASA-N. The full InChI is InChI=1S/C13H14O3/c1-8-2-3-9-10(6-8)16-11-4-5-13(11)12(9,14)7-15-13/h2-3,6,11,14H,4-5,7H2,1H3/t11-,12-,13-/m0/s1.
What are the key properties of (2R,5S,8S)-12-methyl-4,9-dioxatetracyclo[8.4.0.02,5.05,8]tetradeca-1(10),11,13-trien-2-ol?
(2R,5S,8S)-12-methyl-4,9-dioxatetracyclo[8.4.0.02,5.05,8]tetradeca-1(10),11,13-trien-2-ol has a molecular weight of 218.25 g/mol, XLogP of 1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S,8S)-12-methyl-4,9-dioxatetracyclo[8.4.0.02,5.05,8]tetradeca-1(10),11,13-trien-2-ol is sourced from PubChem (CID 10632604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).