5-(hydroxymethyl)-7-methoxy-1,8-dimethyl-9,10-dihydrophenanthren-2-ol

C18H20O3 — CID 10636800

IUPAC5-(hydroxymethyl)-7-methoxy-1,8-dimethyl-9,10-dihydrophenanthren-2-ol
SMILESCOc1cc(CO)c2c(c1C)CCc1c-2ccc(O)c1C
InChIInChI=1S/C18H20O3/c1-10-13-4-5-14-11(2)17(21-3)8-12(9-19)18(14)15(13)6-7-16(10)20/h6-8,19-20H,4-5,9H2,1-3H3
InChIKeyAFSFAQIVBFYNPX-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.28
Rot. Bonds2

About 5-(hydroxymethyl)-7-methoxy-1,8-dimethyl-9,10-dihydrophenanthren-2-ol

5-(hydroxymethyl)-7-methoxy-1,8-dimethyl-9,10-dihydrophenanthren-2-ol (PubChem CID 10636800) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-(hydroxymethyl)-7-methoxy-1,8-dimethyl-9,10-dihydrophenanthren-2-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-7-methoxy-1,8-dimethyl-9,10-dihydrophenanthren-2-ol
PubChem CID10636800
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name5-(hydroxymethyl)-7-methoxy-1,8-dimethyl-9,10-dihydrophenanthren-2-ol
SMILESCOc1cc(CO)c2c(c1C)CCc1c-2ccc(O)c1C
InChIInChI=1S/C18H20O3/c1-10-13-4-5-14-11(2)17(21-3)8-12(9-19)18(14)15(13)6-7-16(10)20/h6-8,19-20H,4-5,9H2,1-3H3
InChIKeyAFSFAQIVBFYNPX-UHFFFAOYSA-N
XLogP3.28
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-7-methoxy-1,8-dimethyl-9,10-dihydrophenanthren-2-ol?
The IUPAC name of 5-(hydroxymethyl)-7-methoxy-1,8-dimethyl-9,10-dihydrophenanthren-2-ol (CID 10636800) is 5-(hydroxymethyl)-7-methoxy-1,8-dimethyl-9,10-dihydrophenanthren-2-ol.
What is the SMILES notation for 5-(hydroxymethyl)-7-methoxy-1,8-dimethyl-9,10-dihydrophenanthren-2-ol?
The canonical SMILES for 5-(hydroxymethyl)-7-methoxy-1,8-dimethyl-9,10-dihydrophenanthren-2-ol is COc1cc(CO)c2c(c1C)CCc1c-2ccc(O)c1C.
What is the InChIKey of 5-(hydroxymethyl)-7-methoxy-1,8-dimethyl-9,10-dihydrophenanthren-2-ol?
The InChIKey is AFSFAQIVBFYNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-10-13-4-5-14-11(2)17(21-3)8-12(9-19)18(14)15(13)6-7-16(10)20/h6-8,19-20H,4-5,9H2,1-3H3.
What are the key properties of 5-(hydroxymethyl)-7-methoxy-1,8-dimethyl-9,10-dihydrophenanthren-2-ol?
5-(hydroxymethyl)-7-methoxy-1,8-dimethyl-9,10-dihydrophenanthren-2-ol has a molecular weight of 284.36 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-7-methoxy-1,8-dimethyl-9,10-dihydrophenanthren-2-ol is sourced from PubChem (CID 10636800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).