(10-hydroxy-2,6-dimethyl-1,2,3,4-tetrahydroanthracen-9-yl) 2-methylprop-2-enoate

C20H22O3 — CID 163407044

IUPAC(10-hydroxy-2,6-dimethyl-1,2,3,4-tetrahydroanthracen-9-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1c2c(c(O)c3cc(C)ccc13)CCC(C)C2
InChIInChI=1S/C20H22O3/c1-11(2)20(22)23-19-15-8-6-12(3)9-16(15)18(21)14-7-5-13(4)10-17(14)19/h6,8-9,13,21H,1,5,7,10H2,2-4H3
InChIKeyHRQHVSGTLZIAJM-UHFFFAOYSA-N
MW310.39 g/mol
LogP4.46
Rot. Bonds2

About (10-hydroxy-2,6-dimethyl-1,2,3,4-tetrahydroanthracen-9-yl) 2-methylprop-2-enoate

(10-hydroxy-2,6-dimethyl-1,2,3,4-tetrahydroanthracen-9-yl) 2-methylprop-2-enoate (PubChem CID 163407044) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is (10-hydroxy-2,6-dimethyl-1,2,3,4-tetrahydroanthracen-9-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(10-hydroxy-2,6-dimethyl-1,2,3,4-tetrahydroanthracen-9-yl) 2-methylprop-2-enoate
PubChem CID163407044
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Name(10-hydroxy-2,6-dimethyl-1,2,3,4-tetrahydroanthracen-9-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1c2c(c(O)c3cc(C)ccc13)CCC(C)C2
InChIInChI=1S/C20H22O3/c1-11(2)20(22)23-19-15-8-6-12(3)9-16(15)18(21)14-7-5-13(4)10-17(14)19/h6,8-9,13,21H,1,5,7,10H2,2-4H3
InChIKeyHRQHVSGTLZIAJM-UHFFFAOYSA-N
XLogP4.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (10-hydroxy-2,6-dimethyl-1,2,3,4-tetrahydroanthracen-9-yl) 2-methylprop-2-enoate?
The IUPAC name of (10-hydroxy-2,6-dimethyl-1,2,3,4-tetrahydroanthracen-9-yl) 2-methylprop-2-enoate (CID 163407044) is (10-hydroxy-2,6-dimethyl-1,2,3,4-tetrahydroanthracen-9-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (10-hydroxy-2,6-dimethyl-1,2,3,4-tetrahydroanthracen-9-yl) 2-methylprop-2-enoate?
The canonical SMILES for (10-hydroxy-2,6-dimethyl-1,2,3,4-tetrahydroanthracen-9-yl) 2-methylprop-2-enoate is C=C(C)C(=O)Oc1c2c(c(O)c3cc(C)ccc13)CCC(C)C2.
What is the InChIKey of (10-hydroxy-2,6-dimethyl-1,2,3,4-tetrahydroanthracen-9-yl) 2-methylprop-2-enoate?
The InChIKey is HRQHVSGTLZIAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O3/c1-11(2)20(22)23-19-15-8-6-12(3)9-16(15)18(21)14-7-5-13(4)10-17(14)19/h6,8-9,13,21H,1,5,7,10H2,2-4H3.
What are the key properties of (10-hydroxy-2,6-dimethyl-1,2,3,4-tetrahydroanthracen-9-yl) 2-methylprop-2-enoate?
(10-hydroxy-2,6-dimethyl-1,2,3,4-tetrahydroanthracen-9-yl) 2-methylprop-2-enoate has a molecular weight of 310.39 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10-hydroxy-2,6-dimethyl-1,2,3,4-tetrahydroanthracen-9-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 163407044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).