1,2,5-trimethyl-3-phenylbenzene;hydrate

C15H18O — CID 130423762

IUPAC1,2,5-trimethyl-3-phenylbenzene;hydrate
SMILESCc1cc(C)c(C)c(-c2ccccc2)c1.O
InChIInChI=1S/C15H16.H2O/c1-11-9-12(2)13(3)15(10-11)14-7-5-4-6-8-14;/h4-10H,1-3H3;1H2
InChIKeyJEMSLKUKOOPKGT-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.45
Rot. Bonds1

About 1,2,5-trimethyl-3-phenylbenzene;hydrate

1,2,5-trimethyl-3-phenylbenzene;hydrate (PubChem CID 130423762) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 1,2,5-trimethyl-3-phenylbenzene;hydrate.

Molecular Properties

Compound Name1,2,5-trimethyl-3-phenylbenzene;hydrate
PubChem CID130423762
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name1,2,5-trimethyl-3-phenylbenzene;hydrate
SMILESCc1cc(C)c(C)c(-c2ccccc2)c1.O
InChIInChI=1S/C15H16.H2O/c1-11-9-12(2)13(3)15(10-11)14-7-5-4-6-8-14;/h4-10H,1-3H3;1H2
InChIKeyJEMSLKUKOOPKGT-UHFFFAOYSA-N
XLogP3.45
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[3-(3,5-dimethylphenyl)phenyl]-3,5-diphenylbenzene;1,2,5-trimethyl-3-[3-[3-phenyl-5-[3-(2,3,5-trimethylphenyl)phenyl]phenyl]phenyl]benzene
CID 159646654
hydrazine;1,2,3,4-tetramethyl-5-phenylbenzene
CID 174461689
1,3,5-trimethyl-2-(2-phenylphenyl)benzene
CID 18795387
1-(3,4-dimethylphenyl)-2,3,5-trimethylbenzene
CID 143062787
5-methoxy-1,2-dimethyl-3-phenylbenzene
CID 67554747
(2,5-dimethyl-3-phenylphenyl)methanol
CID 145013293
(4-methyl-2,6-diphenylphenyl)stibane
CID 173432730
cyanic acid;1,2,3,4-tetramethyl-5-phenylbenzene
CID 172702262
chloro-tris(2,5-dimethyl-3-phenylphenyl)silane
CID 88962543
1,2-dimethyl-5-phenyl-3-(3-phenylphenyl)benzene
CID 141408697
5-(3,5-diphenylphenyl)-2-methyl-1,3-diphenylbenzene
CID 58760870
2,4-dimethyl-1,3,5-triphenylbenzene
CID 54408386

Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethyl-3-phenylbenzene;hydrate?
The IUPAC name of 1,2,5-trimethyl-3-phenylbenzene;hydrate (CID 130423762) is 1,2,5-trimethyl-3-phenylbenzene;hydrate.
What is the SMILES notation for 1,2,5-trimethyl-3-phenylbenzene;hydrate?
The canonical SMILES for 1,2,5-trimethyl-3-phenylbenzene;hydrate is Cc1cc(C)c(C)c(-c2ccccc2)c1.O.
What is the InChIKey of 1,2,5-trimethyl-3-phenylbenzene;hydrate?
The InChIKey is JEMSLKUKOOPKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16.H2O/c1-11-9-12(2)13(3)15(10-11)14-7-5-4-6-8-14;/h4-10H,1-3H3;1H2.
What are the key properties of 1,2,5-trimethyl-3-phenylbenzene;hydrate?
1,2,5-trimethyl-3-phenylbenzene;hydrate has a molecular weight of 214.31 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethyl-3-phenylbenzene;hydrate is sourced from PubChem (CID 130423762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).