7-phenyl-4b-propyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-2-ol

C23H28O — CID 142848181

IUPAC7-phenyl-4b-propyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-2-ol
SMILESCCCC12CCC(c3ccccc3)CC1CCc1cc(O)ccc12
InChIInChI=1S/C23H28O/c1-2-13-23-14-12-18(17-6-4-3-5-7-17)15-20(23)9-8-19-16-21(24)10-11-22(19)23/h3-7,10-11,16,18,20,24H,2,8-9,12-15H2,1H3
InChIKeyNZPOFWLGCBTMIL-UHFFFAOYSA-N
MW320.48 g/mol
LogP5.96
Rot. Bonds3

About 7-phenyl-4b-propyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-2-ol

7-phenyl-4b-propyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-2-ol (PubChem CID 142848181) has the molecular formula C23H28O and a molecular weight of 320.48 g/mol. Its IUPAC name is 7-phenyl-4b-propyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-2-ol.

Molecular Properties

Compound Name7-phenyl-4b-propyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-2-ol
PubChem CID142848181
Molecular FormulaC23H28O
Molecular Weight320.48 g/mol
Exact Mass320.21
IUPAC Name7-phenyl-4b-propyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-2-ol
SMILESCCCC12CCC(c3ccccc3)CC1CCc1cc(O)ccc12
InChIInChI=1S/C23H28O/c1-2-13-23-14-12-18(17-6-4-3-5-7-17)15-20(23)9-8-19-16-21(24)10-11-22(19)23/h3-7,10-11,16,18,20,24H,2,8-9,12-15H2,1H3
InChIKeyNZPOFWLGCBTMIL-UHFFFAOYSA-N
XLogP5.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.48
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-4b-propyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-2-ol?
The IUPAC name of 7-phenyl-4b-propyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-2-ol (CID 142848181) is 7-phenyl-4b-propyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-2-ol.
What is the SMILES notation for 7-phenyl-4b-propyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-2-ol?
The canonical SMILES for 7-phenyl-4b-propyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-2-ol is CCCC12CCC(c3ccccc3)CC1CCc1cc(O)ccc12.
What is the InChIKey of 7-phenyl-4b-propyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-2-ol?
The InChIKey is NZPOFWLGCBTMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O/c1-2-13-23-14-12-18(17-6-4-3-5-7-17)15-20(23)9-8-19-16-21(24)10-11-22(19)23/h3-7,10-11,16,18,20,24H,2,8-9,12-15H2,1H3.
What are the key properties of 7-phenyl-4b-propyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-2-ol?
7-phenyl-4b-propyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-2-ol has a molecular weight of 320.48 g/mol, XLogP of 5.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-4b-propyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-2-ol is sourced from PubChem (CID 142848181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).