4,7-dimethoxy-9,10-dihydrophenanthren-2-ol

C16H16O3 — CID 24762426

IUPAC4,7-dimethoxy-9,10-dihydrophenanthren-2-ol
SMILESCOc1ccc2c(c1)CCc1cc(O)cc(OC)c1-2
InChIInChI=1S/C16H16O3/c1-18-13-5-6-14-10(8-13)3-4-11-7-12(17)9-15(19-2)16(11)14/h5-9,17H,3-4H2,1-2H3
InChIKeyHWILQAUQOIOQMW-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.17
Rot. Bonds2

About 4,7-dimethoxy-9,10-dihydrophenanthren-2-ol

4,7-dimethoxy-9,10-dihydrophenanthren-2-ol (PubChem CID 24762426) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 4,7-dimethoxy-9,10-dihydrophenanthren-2-ol.

Molecular Properties

Compound Name4,7-dimethoxy-9,10-dihydrophenanthren-2-ol
PubChem CID24762426
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name4,7-dimethoxy-9,10-dihydrophenanthren-2-ol
SMILESCOc1ccc2c(c1)CCc1cc(O)cc(OC)c1-2
InChIInChI=1S/C16H16O3/c1-18-13-5-6-14-10(8-13)3-4-11-7-12(17)9-15(19-2)16(11)14/h5-9,17H,3-4H2,1-2H3
InChIKeyHWILQAUQOIOQMW-UHFFFAOYSA-N
XLogP3.17
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethoxy-9,10-dihydrophenanthren-2-ol?
The IUPAC name of 4,7-dimethoxy-9,10-dihydrophenanthren-2-ol (CID 24762426) is 4,7-dimethoxy-9,10-dihydrophenanthren-2-ol.
What is the SMILES notation for 4,7-dimethoxy-9,10-dihydrophenanthren-2-ol?
The canonical SMILES for 4,7-dimethoxy-9,10-dihydrophenanthren-2-ol is COc1ccc2c(c1)CCc1cc(O)cc(OC)c1-2.
What is the InChIKey of 4,7-dimethoxy-9,10-dihydrophenanthren-2-ol?
The InChIKey is HWILQAUQOIOQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-18-13-5-6-14-10(8-13)3-4-11-7-12(17)9-15(19-2)16(11)14/h5-9,17H,3-4H2,1-2H3.
What are the key properties of 4,7-dimethoxy-9,10-dihydrophenanthren-2-ol?
4,7-dimethoxy-9,10-dihydrophenanthren-2-ol has a molecular weight of 256.30 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethoxy-9,10-dihydrophenanthren-2-ol is sourced from PubChem (CID 24762426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).