6-oxapentacyclo[9.8.0.02,8.05,7.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene;phenylmethanol

C25H22O2 — CID 174464943

IUPAC6-oxapentacyclo[9.8.0.02,8.05,7.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene;phenylmethanol
SMILESOCc1ccccc1.c1ccc2c(c1)ccc1c3c(ccc12)C1OC1CC3
InChIInChI=1S/C18H14O.C7H8O/c1-2-4-12-11(3-1)5-6-14-13(12)7-8-16-15(14)9-10-17-18(16)19-17;8-6-7-4-2-1-3-5-7/h1-8,17-18H,9-10H2;1-5,8H,6H2
InChIKeyQUUKVJBWEFKUDJ-UHFFFAOYSA-N
MW354.45 g/mol
LogP5.56
Rot. Bonds1

About 6-oxapentacyclo[9.8.0.02,8.05,7.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene;phenylmethanol

6-oxapentacyclo[9.8.0.02,8.05,7.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene;phenylmethanol (PubChem CID 174464943) has the molecular formula C25H22O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 6-oxapentacyclo[9.8.0.02,8.05,7.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene;phenylmethanol.

Molecular Properties

Compound Name6-oxapentacyclo[9.8.0.02,8.05,7.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene;phenylmethanol
PubChem CID174464943
Molecular FormulaC25H22O2
Molecular Weight354.45 g/mol
Exact Mass354.16
IUPAC Name6-oxapentacyclo[9.8.0.02,8.05,7.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene;phenylmethanol
SMILESOCc1ccccc1.c1ccc2c(c1)ccc1c3c(ccc12)C1OC1CC3
InChIInChI=1S/C18H14O.C7H8O/c1-2-4-12-11(3-1)5-6-14-13(12)7-8-16-15(14)9-10-17-18(16)19-17;8-6-7-4-2-1-3-5-7/h1-8,17-18H,9-10H2;1-5,8H,6H2
InChIKeyQUUKVJBWEFKUDJ-UHFFFAOYSA-N
XLogP5.56
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-oxapentacyclo[9.8.0.02,8.05,7.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene;phenylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-oxapentacyclo[9.8.0.02,8.05,7.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene;phenylmethanol?
The IUPAC name of 6-oxapentacyclo[9.8.0.02,8.05,7.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene;phenylmethanol (CID 174464943) is 6-oxapentacyclo[9.8.0.02,8.05,7.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene;phenylmethanol.
What is the SMILES notation for 6-oxapentacyclo[9.8.0.02,8.05,7.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene;phenylmethanol?
The canonical SMILES for 6-oxapentacyclo[9.8.0.02,8.05,7.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene;phenylmethanol is OCc1ccccc1.c1ccc2c(c1)ccc1c3c(ccc12)C1OC1CC3.
What is the InChIKey of 6-oxapentacyclo[9.8.0.02,8.05,7.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene;phenylmethanol?
The InChIKey is QUUKVJBWEFKUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O.C7H8O/c1-2-4-12-11(3-1)5-6-14-13(12)7-8-16-15(14)9-10-17-18(16)19-17;8-6-7-4-2-1-3-5-7/h1-8,17-18H,9-10H2;1-5,8H,6H2.
What are the key properties of 6-oxapentacyclo[9.8.0.02,8.05,7.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene;phenylmethanol?
6-oxapentacyclo[9.8.0.02,8.05,7.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene;phenylmethanol has a molecular weight of 354.45 g/mol, XLogP of 5.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxapentacyclo[9.8.0.02,8.05,7.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene;phenylmethanol is sourced from PubChem (CID 174464943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).