10-(phenoxymethoxy)phenanthren-9-ol

C21H16O3 — CID 134937916

IUPAC10-(phenoxymethoxy)phenanthren-9-ol
SMILESOc1c(OCOc2ccccc2)c2ccccc2c2ccccc12
InChIInChI=1S/C21H16O3/c22-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)21(20)24-14-23-15-8-2-1-3-9-15/h1-13,22H,14H2
InChIKeyKEMTZTCIUJPMBS-UHFFFAOYSA-N
MW316.36 g/mol
LogP5.11
Rot. Bonds4

About 10-(phenoxymethoxy)phenanthren-9-ol

10-(phenoxymethoxy)phenanthren-9-ol (PubChem CID 134937916) has the molecular formula C21H16O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 10-(phenoxymethoxy)phenanthren-9-ol.

Molecular Properties

Compound Name10-(phenoxymethoxy)phenanthren-9-ol
PubChem CID134937916
Molecular FormulaC21H16O3
Molecular Weight316.36 g/mol
Exact Mass316.11
IUPAC Name10-(phenoxymethoxy)phenanthren-9-ol
SMILESOc1c(OCOc2ccccc2)c2ccccc2c2ccccc12
InChIInChI=1S/C21H16O3/c22-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)21(20)24-14-23-15-8-2-1-3-9-15/h1-13,22H,14H2
InChIKeyKEMTZTCIUJPMBS-UHFFFAOYSA-N
XLogP5.11
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.36
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-(phenoxymethoxy)phenanthren-9-ol?
The IUPAC name of 10-(phenoxymethoxy)phenanthren-9-ol (CID 134937916) is 10-(phenoxymethoxy)phenanthren-9-ol.
What is the SMILES notation for 10-(phenoxymethoxy)phenanthren-9-ol?
The canonical SMILES for 10-(phenoxymethoxy)phenanthren-9-ol is Oc1c(OCOc2ccccc2)c2ccccc2c2ccccc12.
What is the InChIKey of 10-(phenoxymethoxy)phenanthren-9-ol?
The InChIKey is KEMTZTCIUJPMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O3/c22-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)21(20)24-14-23-15-8-2-1-3-9-15/h1-13,22H,14H2.
What are the key properties of 10-(phenoxymethoxy)phenanthren-9-ol?
10-(phenoxymethoxy)phenanthren-9-ol has a molecular weight of 316.36 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(phenoxymethoxy)phenanthren-9-ol is sourced from PubChem (CID 134937916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).