7-methyltriphenylen-2-ol

C19H14O — CID 88884826

IUPAC7-methyltriphenylen-2-ol
SMILESCc1ccc2c3ccc(O)cc3c3ccccc3c2c1
InChIInChI=1S/C19H14O/c1-12-6-8-16-17-9-7-13(20)11-19(17)15-5-3-2-4-14(15)18(16)10-12/h2-11,20H,1H3
InChIKeyZRMRBVUUCIENKF-UHFFFAOYSA-N
MW258.32 g/mol
LogP5.16
Rot. Bonds

About 7-methyltriphenylen-2-ol

7-methyltriphenylen-2-ol (PubChem CID 88884826) has the molecular formula C19H14O and a molecular weight of 258.32 g/mol. Its IUPAC name is 7-methyltriphenylen-2-ol.

Molecular Properties

Compound Name7-methyltriphenylen-2-ol
PubChem CID88884826
Molecular FormulaC19H14O
Molecular Weight258.32 g/mol
Exact Mass258.10
IUPAC Name7-methyltriphenylen-2-ol
SMILESCc1ccc2c3ccc(O)cc3c3ccccc3c2c1
InChIInChI=1S/C19H14O/c1-12-6-8-16-17-9-7-13(20)11-19(17)15-5-3-2-4-14(15)18(16)10-12/h2-11,20H,1H3
InChIKeyZRMRBVUUCIENKF-UHFFFAOYSA-N
XLogP5.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.32
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methyltriphenylen-2-ol?
The IUPAC name of 7-methyltriphenylen-2-ol (CID 88884826) is 7-methyltriphenylen-2-ol.
What is the SMILES notation for 7-methyltriphenylen-2-ol?
The canonical SMILES for 7-methyltriphenylen-2-ol is Cc1ccc2c3ccc(O)cc3c3ccccc3c2c1.
What is the InChIKey of 7-methyltriphenylen-2-ol?
The InChIKey is ZRMRBVUUCIENKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O/c1-12-6-8-16-17-9-7-13(20)11-19(17)15-5-3-2-4-14(15)18(16)10-12/h2-11,20H,1H3.
What are the key properties of 7-methyltriphenylen-2-ol?
7-methyltriphenylen-2-ol has a molecular weight of 258.32 g/mol, XLogP of 5.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyltriphenylen-2-ol is sourced from PubChem (CID 88884826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).