(3,4-dimethoxy-12-methyl-5-phenyl-11-tricyclo[5.3.1.12,6]dodeca-1(10),2,4,6(12),7(11),8-hexaenyl)methanol

C22H20O3 — CID 141218224

IUPAC(3,4-dimethoxy-12-methyl-5-phenyl-11-tricyclo[5.3.1.12,6]dodeca-1(10),2,4,6(12),7(11),8-hexaenyl)methanol
SMILESCOc1c(OC)c2c(C)c(c1-c1ccccc1)c1cccc2c1CO
InChIInChI=1S/C22H20O3/c1-13-18-15-10-7-11-16(17(15)12-23)19(13)21(24-2)22(25-3)20(18)14-8-5-4-6-9-14/h4-11,23H,12H2,1-3H3
InChIKeyMEPYUUOCODVFKU-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.92
Rot. Bonds4

About (3,4-dimethoxy-12-methyl-5-phenyl-11-tricyclo[5.3.1.12,6]dodeca-1(10),2,4,6(12),7(11),8-hexaenyl)methanol

(3,4-dimethoxy-12-methyl-5-phenyl-11-tricyclo[5.3.1.12,6]dodeca-1(10),2,4,6(12),7(11),8-hexaenyl)methanol (PubChem CID 141218224) has the molecular formula C22H20O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is (3,4-dimethoxy-12-methyl-5-phenyl-11-tricyclo[5.3.1.12,6]dodeca-1(10),2,4,6(12),7(11),8-hexaenyl)methanol.

Molecular Properties

Compound Name(3,4-dimethoxy-12-methyl-5-phenyl-11-tricyclo[5.3.1.12,6]dodeca-1(10),2,4,6(12),7(11),8-hexaenyl)methanol
PubChem CID141218224
Molecular FormulaC22H20O3
Molecular Weight332.40 g/mol
Exact Mass332.14
IUPAC Name(3,4-dimethoxy-12-methyl-5-phenyl-11-tricyclo[5.3.1.12,6]dodeca-1(10),2,4,6(12),7(11),8-hexaenyl)methanol
SMILESCOc1c(OC)c2c(C)c(c1-c1ccccc1)c1cccc2c1CO
InChIInChI=1S/C22H20O3/c1-13-18-15-10-7-11-16(17(15)12-23)19(13)21(24-2)22(25-3)20(18)14-8-5-4-6-9-14/h4-11,23H,12H2,1-3H3
InChIKeyMEPYUUOCODVFKU-UHFFFAOYSA-N
XLogP4.92
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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[3-(hydroxymethyl)-2-methoxy-4-methylphenyl]methanol
CID 91618259
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2-methoxy-1,4-dimethyl-3,5-diphenylbenzene
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2-methoxy-1,3-diphenylbenzene
CID 23524590
4-methoxy-2,3,5-trimethyl-6-phenylphenol;phosphoric acid
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CID 10518090
7-methoxy-1,9-dimethyl-3,6-diphenyl-8-propylcarbazole-2,4,5-triol
CID 145482146
2-benzyl-1,4-dimethyl-3-phenylnaphthalene
CID 102201254
(2,3-difluoro-4-methoxynaphthalen-1-yl)methanol
CID 174473708

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxy-12-methyl-5-phenyl-11-tricyclo[5.3.1.12,6]dodeca-1(10),2,4,6(12),7(11),8-hexaenyl)methanol?
The IUPAC name of (3,4-dimethoxy-12-methyl-5-phenyl-11-tricyclo[5.3.1.12,6]dodeca-1(10),2,4,6(12),7(11),8-hexaenyl)methanol (CID 141218224) is (3,4-dimethoxy-12-methyl-5-phenyl-11-tricyclo[5.3.1.12,6]dodeca-1(10),2,4,6(12),7(11),8-hexaenyl)methanol.
What is the SMILES notation for (3,4-dimethoxy-12-methyl-5-phenyl-11-tricyclo[5.3.1.12,6]dodeca-1(10),2,4,6(12),7(11),8-hexaenyl)methanol?
The canonical SMILES for (3,4-dimethoxy-12-methyl-5-phenyl-11-tricyclo[5.3.1.12,6]dodeca-1(10),2,4,6(12),7(11),8-hexaenyl)methanol is COc1c(OC)c2c(C)c(c1-c1ccccc1)c1cccc2c1CO.
What is the InChIKey of (3,4-dimethoxy-12-methyl-5-phenyl-11-tricyclo[5.3.1.12,6]dodeca-1(10),2,4,6(12),7(11),8-hexaenyl)methanol?
The InChIKey is MEPYUUOCODVFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O3/c1-13-18-15-10-7-11-16(17(15)12-23)19(13)21(24-2)22(25-3)20(18)14-8-5-4-6-9-14/h4-11,23H,12H2,1-3H3.
What are the key properties of (3,4-dimethoxy-12-methyl-5-phenyl-11-tricyclo[5.3.1.12,6]dodeca-1(10),2,4,6(12),7(11),8-hexaenyl)methanol?
(3,4-dimethoxy-12-methyl-5-phenyl-11-tricyclo[5.3.1.12,6]dodeca-1(10),2,4,6(12),7(11),8-hexaenyl)methanol has a molecular weight of 332.40 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxy-12-methyl-5-phenyl-11-tricyclo[5.3.1.12,6]dodeca-1(10),2,4,6(12),7(11),8-hexaenyl)methanol is sourced from PubChem (CID 141218224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).