(3,6,7-trimethoxyphenanthren-9-yl)methanol

C18H18O4 — CID 11312561

IUPAC(3,6,7-trimethoxyphenanthren-9-yl)methanol
SMILESCOc1ccc2cc(CO)c3cc(OC)c(OC)cc3c2c1
InChIInChI=1S/C18H18O4/c1-20-13-5-4-11-6-12(10-19)15-8-17(21-2)18(22-3)9-16(15)14(11)7-13/h4-9,19H,10H2,1-3H3
InChIKeyCNBZGBOFLYDSPU-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.51
Rot. Bonds4

About (3,6,7-trimethoxyphenanthren-9-yl)methanol

(3,6,7-trimethoxyphenanthren-9-yl)methanol (PubChem CID 11312561) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is (3,6,7-trimethoxyphenanthren-9-yl)methanol.

Molecular Properties

Compound Name(3,6,7-trimethoxyphenanthren-9-yl)methanol
PubChem CID11312561
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name(3,6,7-trimethoxyphenanthren-9-yl)methanol
SMILESCOc1ccc2cc(CO)c3cc(OC)c(OC)cc3c2c1
InChIInChI=1S/C18H18O4/c1-20-13-5-4-11-6-12(10-19)15-8-17(21-2)18(22-3)9-16(15)14(11)7-13/h4-9,19H,10H2,1-3H3
InChIKeyCNBZGBOFLYDSPU-UHFFFAOYSA-N
XLogP3.51
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3,6,7-trimethoxyphenanthren-9-yl)methanol?
The IUPAC name of (3,6,7-trimethoxyphenanthren-9-yl)methanol (CID 11312561) is (3,6,7-trimethoxyphenanthren-9-yl)methanol.
What is the SMILES notation for (3,6,7-trimethoxyphenanthren-9-yl)methanol?
The canonical SMILES for (3,6,7-trimethoxyphenanthren-9-yl)methanol is COc1ccc2cc(CO)c3cc(OC)c(OC)cc3c2c1.
What is the InChIKey of (3,6,7-trimethoxyphenanthren-9-yl)methanol?
The InChIKey is CNBZGBOFLYDSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-20-13-5-4-11-6-12(10-19)15-8-17(21-2)18(22-3)9-16(15)14(11)7-13/h4-9,19H,10H2,1-3H3.
What are the key properties of (3,6,7-trimethoxyphenanthren-9-yl)methanol?
(3,6,7-trimethoxyphenanthren-9-yl)methanol has a molecular weight of 298.34 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6,7-trimethoxyphenanthren-9-yl)methanol is sourced from PubChem (CID 11312561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).