10-methyl-1,2,4b,8a-tetrahydrotriphenylene

C19H18 — CID 123827251

IUPAC10-methyl-1,2,4b,8a-tetrahydrotriphenylene
SMILESCc1ccc2c(c1)C1C=CC=CC1C1=C2CCC=C1
InChIInChI=1S/C19H18/c1-13-10-11-18-16-8-3-2-6-14(16)15-7-4-5-9-17(15)19(18)12-13/h2,4-7,9-12,15,17H,3,8H2,1H3
InChIKeyUKQQCWBALPUYCJ-UHFFFAOYSA-N
MW246.35 g/mol
LogP4.94
Rot. Bonds

About 10-methyl-1,2,4b,8a-tetrahydrotriphenylene

10-methyl-1,2,4b,8a-tetrahydrotriphenylene (PubChem CID 123827251) has the molecular formula C19H18 and a molecular weight of 246.35 g/mol. Its IUPAC name is 10-methyl-1,2,4b,8a-tetrahydrotriphenylene.

Molecular Properties

Compound Name10-methyl-1,2,4b,8a-tetrahydrotriphenylene
PubChem CID123827251
Molecular FormulaC19H18
Molecular Weight246.35 g/mol
Exact Mass246.14
IUPAC Name10-methyl-1,2,4b,8a-tetrahydrotriphenylene
SMILESCc1ccc2c(c1)C1C=CC=CC1C1=C2CCC=C1
InChIInChI=1S/C19H18/c1-13-10-11-18-16-8-3-2-6-14(16)15-7-4-5-9-17(15)19(18)12-13/h2,4-7,9-12,15,17H,3,8H2,1H3
InChIKeyUKQQCWBALPUYCJ-UHFFFAOYSA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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(4aR,9bR)-8-methyl-4a,9b-dihydrodibenzofuran
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Frequently Asked Questions

What is the IUPAC name of 10-methyl-1,2,4b,8a-tetrahydrotriphenylene?
The IUPAC name of 10-methyl-1,2,4b,8a-tetrahydrotriphenylene (CID 123827251) is 10-methyl-1,2,4b,8a-tetrahydrotriphenylene.
What is the SMILES notation for 10-methyl-1,2,4b,8a-tetrahydrotriphenylene?
The canonical SMILES for 10-methyl-1,2,4b,8a-tetrahydrotriphenylene is Cc1ccc2c(c1)C1C=CC=CC1C1=C2CCC=C1.
What is the InChIKey of 10-methyl-1,2,4b,8a-tetrahydrotriphenylene?
The InChIKey is UKQQCWBALPUYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18/c1-13-10-11-18-16-8-3-2-6-14(16)15-7-4-5-9-17(15)19(18)12-13/h2,4-7,9-12,15,17H,3,8H2,1H3.
What are the key properties of 10-methyl-1,2,4b,8a-tetrahydrotriphenylene?
10-methyl-1,2,4b,8a-tetrahydrotriphenylene has a molecular weight of 246.35 g/mol, XLogP of 4.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-1,2,4b,8a-tetrahydrotriphenylene is sourced from PubChem (CID 123827251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).